2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid

C16H16O5 — CID 88658173

IUPAC2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid
SMILESCc1cc(O)c(CCOc2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C16H16O5/c1-10-9-13(17)12(15(18)14(10)16(19)20)7-8-21-11-5-3-2-4-6-11/h2-6,9,17-18H,7-8H2,1H3,(H,19,20)
InChIKeyJDAXQPFKISZQNY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.73
Rot. Bonds5

About 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid

2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid (PubChem CID 88658173) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid
PubChem CID88658173
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid
SMILESCc1cc(O)c(CCOc2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C16H16O5/c1-10-9-13(17)12(15(18)14(10)16(19)20)7-8-21-11-5-3-2-4-6-11/h2-6,9,17-18H,7-8H2,1H3,(H,19,20)
InChIKeyJDAXQPFKISZQNY-UHFFFAOYSA-N
XLogP2.73
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydroxy-2-(3-phenoxypropyl)benzoic acid
CID 70429914
2,6-dimethyl-4-(4-phenylbutoxy)benzoic acid
CID 139623906
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
2,4,6-trimethyl-3-(2-phenoxyethyl)benzenesulfonic acid
CID 88647875
3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid
CID 88657813
2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid
CID 70267324
2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
CID 67821709
2-phenoxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 4650787
(E)-4-(4-hydroxy-3,5-dimethylphenyl)-1-phenoxybut-3-en-2-one
CID 15020307
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619546
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid?
The IUPAC name of 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid (CID 88658173) is 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid.
What is the SMILES notation for 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid?
The canonical SMILES for 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid is Cc1cc(O)c(CCOc2ccccc2)c(O)c1C(=O)O.
What is the InChIKey of 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid?
The InChIKey is JDAXQPFKISZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-10-9-13(17)12(15(18)14(10)16(19)20)7-8-21-11-5-3-2-4-6-11/h2-6,9,17-18H,7-8H2,1H3,(H,19,20).
What are the key properties of 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid?
2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid is sourced from PubChem (CID 88658173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).