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Molecule Detail Page

Molecule name

1-Phenylethanol

Additional molecule names

Chinese zh
1-苯乙醇

Molecular Structure

Properties calculated from structure

PropertyValue ?
FormulaC8H10O
Weight122.164 [g/mol]
Complexity74.64
XLogP1.73
TPSA20.23
#HDonors1
#HAcceptors1
Gibbs Energy -9.0 [kcal/mol]
1H NMR spectrum Predict NMR spectrum
Isotopic distribution Predict Isotopic distribution

Structure representations/Cross-references

PropertyValue ?
SMILESCC(O)C=1C=CC=CC=1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChI-Key InChIKey=WAPNOHKVXSQRPX-UHFFFAOYSA-N
KEGG ID C07112
ChEBI ID CHEBI:669 
PubChem-CID 7409

Taxonomy

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Stereoisomers

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Most similar molecules

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Reactions the molecule is involved in

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Pathways the molecule is involved in

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