2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol

C16H16O2 — CID 162361533

IUPAC2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
SMILESOCc1ccccc1/C=C/Cc1ccccc1O
InChIInChI=1S/C16H16O2/c17-12-15-8-2-1-6-13(15)9-5-10-14-7-3-4-11-16(14)18/h1-9,11,17-18H,10,12H2/b9-5+
InChIKeyLFSKSIMZBZXDDY-WEVVVXLNSA-N
MW240.30 g/mol
LogP3.14
Rot. Bonds4

About 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol

2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol (PubChem CID 162361533) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
PubChem CID162361533
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
SMILESOCc1ccccc1/C=C/Cc1ccccc1O
InChIInChI=1S/C16H16O2/c17-12-15-8-2-1-6-13(15)9-5-10-14-7-3-4-11-16(14)18/h1-9,11,17-18H,10,12H2/b9-5+
InChIKeyLFSKSIMZBZXDDY-WEVVVXLNSA-N
XLogP3.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 14397663
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
CID 137424646
CID 137424646
2-(hydroxymethyl)phenol;methane
CID 157439231
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
4-(2-hydroxyphenyl)but-2-ene-1,1-diol
CID 57232134
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene
CID 163273816
2-(4-methylpenta-2,4-dienyl)phenol
CID 141457123
5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol
CID 90470263

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol?
The IUPAC name of 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol (CID 162361533) is 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol.
What is the SMILES notation for 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol?
The canonical SMILES for 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol is OCc1ccccc1/C=C/Cc1ccccc1O.
What is the InChIKey of 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol?
The InChIKey is LFSKSIMZBZXDDY-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H16O2/c17-12-15-8-2-1-6-13(15)9-5-10-14-7-3-4-11-16(14)18/h1-9,11,17-18H,10,12H2/b9-5+.
What are the key properties of 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol?
2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol has a molecular weight of 240.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol is sourced from PubChem (CID 162361533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).