3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid

C11H12O4 — CID 169453813

IUPAC3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1C=CCO
InChIInChI=1S/C11H12O4/c1-15-10-5-4-9(11(13)14)7-8(10)3-2-6-12/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyLXBWVWDLGVAVFO-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.40
Rot. Bonds4

About 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid

3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid (PubChem CID 169453813) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
PubChem CID169453813
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1C=CCO
InChIInChI=1S/C11H12O4/c1-15-10-5-4-9(11(13)14)7-8(10)3-2-6-12/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyLXBWVWDLGVAVFO-UHFFFAOYSA-N
XLogP1.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478902
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 169454037
2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
CID 169453821
methyl 3-(3-chloroprop-1-enyl)-4-methoxybenzoate
CID 169478133
4-methoxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472191
methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate
CID 10586709
4-(4-bromobut-1-enyl)-3-methoxybenzoic acid
CID 170498008
1-[3-(4-aminobut-1-enyl)-4-methoxyphenyl]ethanone
CID 170487445
3-methoxy-4-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478901
S-[4-(5-acetyl-2-methoxyphenyl)but-3-enyl] ethanethioate
CID 170480650
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid (CID 169453813) is 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1C=CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid?
The InChIKey is LXBWVWDLGVAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-10-5-4-9(11(13)14)7-8(10)3-2-6-12/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid?
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid is sourced from PubChem (CID 169453813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).