3-benzyl-2-hydroxy-4-methylbenzoic acid

C15H14O3 — CID 122423561

IUPAC3-benzyl-2-hydroxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(O)c1Cc1ccccc1
InChIInChI=1S/C15H14O3/c1-10-7-8-12(15(17)18)14(16)13(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyYUJYPUGFXZJSTN-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.99
Rot. Bonds3

About 3-benzyl-2-hydroxy-4-methylbenzoic acid

3-benzyl-2-hydroxy-4-methylbenzoic acid (PubChem CID 122423561) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-benzyl-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name3-benzyl-2-hydroxy-4-methylbenzoic acid
PubChem CID122423561
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-benzyl-2-hydroxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(O)c1Cc1ccccc1
InChIInChI=1S/C15H14O3/c1-10-7-8-12(15(17)18)14(16)13(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyYUJYPUGFXZJSTN-UHFFFAOYSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3,4-dihydroxybenzoic acid
CID 22593474
3-benzyl-4-dodecyl-2-hydroxybenzoic acid
CID 175045480
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
2-hydroxy-4-methyl-3-phenylbenzoic acid
CID 71254300
2-acetamido-3-benzyl-4-hydroxybenzoic acid
CID 146409350
3-acetamido-2-benzyl-4-hydroxybenzoic acid
CID 146409348
2-benzyl-3,4,5,6-tetrahydroxybenzoic acid
CID 169224256
2-benzyl-3-methyl-4-nitrobenzoic acid
CID 22321881
2-benzyl-3,4-diethyl-6-methylphenol
CID 71428370
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
3-ethyl-2,4-dimethylbenzoic acid
CID 70082464

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 3-benzyl-2-hydroxy-4-methylbenzoic acid (CID 122423561) is 3-benzyl-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 3-benzyl-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 3-benzyl-2-hydroxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-hydroxy-4-methylbenzoic acid?
The InChIKey is YUJYPUGFXZJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-7-8-12(15(17)18)14(16)13(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 3-benzyl-2-hydroxy-4-methylbenzoic acid?
3-benzyl-2-hydroxy-4-methylbenzoic acid has a molecular weight of 242.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 122423561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).