2-(3-hydroxyprop-1-enyl)-4-methoxyphenol

C10H12O3 — CID 169453185

IUPAC2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(C=CCO)c1
InChIInChI=1S/C10H12O3/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7,11-12H,6H2,1H3
InChIKeyVAJOSZBHBVCHBU-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.41
Rot. Bonds3

About 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol

2-(3-hydroxyprop-1-enyl)-4-methoxyphenol (PubChem CID 169453185) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
PubChem CID169453185
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(C=CCO)c1
InChIInChI=1S/C10H12O3/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7,11-12H,6H2,1H3
InChIKeyVAJOSZBHBVCHBU-UHFFFAOYSA-N
XLogP1.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522
3-(2-bromo-5-methoxyphenyl)prop-2-en-1-ol
CID 169454365
4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170799520
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
S-[3-(2-hydroxy-5-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457045
(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol
CID 101211674
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol
CID 169453803
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol?
The IUPAC name of 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol (CID 169453185) is 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol.
What is the SMILES notation for 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol?
The canonical SMILES for 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol is COc1ccc(O)c(C=CCO)c1.
What is the InChIKey of 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol?
The InChIKey is VAJOSZBHBVCHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7,11-12H,6H2,1H3.
What are the key properties of 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol?
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol has a molecular weight of 180.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-enyl)-4-methoxyphenol is sourced from PubChem (CID 169453185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).