2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid

C11H12O3 — CID 169453554

IUPAC2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid
SMILESCc1ccc(C=CCO)c(C(=O)O)c1
InChIInChI=1S/C11H12O3/c1-8-4-5-9(3-2-6-12)10(7-8)11(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyVXHPTSNDVUHLRG-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.70
Rot. Bonds3

About 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid

2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid (PubChem CID 169453554) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid
PubChem CID169453554
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid
SMILESCc1ccc(C=CCO)c(C(=O)O)c1
InChIInChI=1S/C11H12O3/c1-8-4-5-9(3-2-6-12)10(7-8)11(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyVXHPTSNDVUHLRG-UHFFFAOYSA-N
XLogP1.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-carboxyprop-1-enyl)-5-methylbenzoic acid
CID 170483830
5-methyl-2-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478610
4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 169454037
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
2-(4-amino-4-oxobut-1-enyl)-4-methylbenzoic acid
CID 170798190
2-(3-cyanoprop-1-enyl)-4-methylbenzoic acid
CID 170799967
(E)-3-(4-methyl-2-propanoylphenyl)prop-2-enoic acid
CID 134615397
4-(3-carboxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 170484358
5-amino-2-(3-aminoprop-1-enyl)benzoic acid
CID 169463944
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148
4-[2-(2,4-dicarboxyphenyl)ethenyl]benzene-1,3-dicarboxylic acid
CID 141181018
5-chloro-2-(4-chlorobut-1-enyl)benzoic acid
CID 170499387

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid?
The IUPAC name of 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid (CID 169453554) is 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid is Cc1ccc(C=CCO)c(C(=O)O)c1.
What is the InChIKey of 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid?
The InChIKey is VXHPTSNDVUHLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-4-5-9(3-2-6-12)10(7-8)11(13)14/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid?
2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid is sourced from PubChem (CID 169453554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).