4-(2-hydroxy-5-methylphenyl)but-3-enoic acid

C11H12O3 — CID 170483189

IUPAC4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
SMILESCc1ccc(O)c(C=CCC(=O)O)c1
InChIInChI=1S/C11H12O3/c1-8-5-6-10(12)9(7-8)3-2-4-11(13)14/h2-3,5-7,12H,4H2,1H3,(H,13,14)
InChIKeyWCAFCYLPUQZKMP-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.19
Rot. Bonds3

About 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid

4-(2-hydroxy-5-methylphenyl)but-3-enoic acid (PubChem CID 170483189) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
PubChem CID170483189
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
SMILESCc1ccc(O)c(C=CCC(=O)O)c1
InChIInChI=1S/C11H12O3/c1-8-5-6-10(12)9(7-8)3-2-4-11(13)14/h2-3,5-7,12H,4H2,1H3,(H,13,14)
InChIKeyWCAFCYLPUQZKMP-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-carboxyprop-1-enyl)-5-methylbenzoic acid
CID 170483830
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488274
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
4-(2,4-dihydroxyphenyl)but-3-enoic acid
CID 170483156
2-[3-(4-ethoxy-4-oxobut-1-enyl)-4-hydroxyphenyl]acetic acid
CID 170796708
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-(4-amino-4-oxobut-1-enyl)-4-methylbenzoic acid
CID 170798190
(E)-4-[2-(1-hydroxyhexyl)-4-methylphenyl]but-3-enoic acid
CID 44605342
(E)-5-(2,5-dimethylphenyl)pent-4-enoic acid
CID 82076937
5-(2,5-dimethylphenyl)pent-4-enoic acid
CID 171372505
4-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenol
CID 68737342
ethyl 4-(2,5-dimethylphenyl)but-3-enoate
CID 170795675

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid?
The IUPAC name of 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid (CID 170483189) is 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid.
What is the SMILES notation for 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid?
The canonical SMILES for 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid is Cc1ccc(O)c(C=CCC(=O)O)c1.
What is the InChIKey of 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid?
The InChIKey is WCAFCYLPUQZKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-5-6-10(12)9(7-8)3-2-4-11(13)14/h2-3,5-7,12H,4H2,1H3,(H,13,14).
What are the key properties of 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid?
4-(2-hydroxy-5-methylphenyl)but-3-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methylphenyl)but-3-enoic acid is sourced from PubChem (CID 170483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).