(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol

C10H12O2 — CID 14397663

IUPAC(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1ccccc1CO
InChIInChI=1S/C10H12O2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-6,11-12H,7-8H2/b6-3+
InChIKeyVQMGSDNNWOVCSC-ZZXKWVIFSA-N
MW164.20 g/mol
LogP1.18
Rot. Bonds3

About (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol

(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol (PubChem CID 14397663) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
PubChem CID14397663
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1ccccc1CO
InChIInChI=1S/C10H12O2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-6,11-12H,7-8H2/b6-3+
InChIKeyVQMGSDNNWOVCSC-ZZXKWVIFSA-N
XLogP1.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
CID 162361533
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
3-(2-ethenylphenyl)prop-2-en-1-ol
CID 169452931
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19876981
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
2-(3-hydroxyprop-1-enyl)benzenecarbothioamide
CID 169453311
(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol
CID 178014118
3-(1-benzofuran-3-yl)prop-2-en-1-ol
CID 169453429
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol (CID 14397663) is (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol is OC/C=C/c1ccccc1CO.
What is the InChIKey of (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The InChIKey is VQMGSDNNWOVCSC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H12O2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-6,11-12H,7-8H2/b6-3+.
What are the key properties of (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
(E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol has a molecular weight of 164.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 14397663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).