5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid

C16H16O3 — CID 175195543

IUPAC5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
SMILESCCc1cc(C(=O)O)c(-c2ccccc2)c(C)c1O
InChIInChI=1S/C16H16O3/c1-3-11-9-13(16(18)19)14(10(2)15(11)17)12-7-5-4-6-8-12/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyDWAVRCQSRPYFNF-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.63
Rot. Bonds3

About 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid

5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid (PubChem CID 175195543) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
PubChem CID175195543
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
SMILESCCc1cc(C(=O)O)c(-c2ccccc2)c(C)c1O
InChIInChI=1S/C16H16O3/c1-3-11-9-13(16(18)19)14(10(2)15(11)17)12-7-5-4-6-8-12/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyDWAVRCQSRPYFNF-UHFFFAOYSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575
2-hydroxy-4-methyl-3-phenylbenzoic acid
CID 71254300
3,4,5-trihydroxy-2-(2-methylphenyl)benzoic acid
CID 57088351
3,5-diethyl-2,6-dimethylphenol
CID 23451688
ethyl 5-chloro-2-hydroxy-3,6-dimethyl-4-phenylbenzoate
CID 101384022
3,5-diethyl-4-methylphthalic acid
CID 87702894
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
CID 173306034
2-hydroxy-3-methyl-4-(2-phenylphenyl)benzoic acid
CID 19102967
2-ethylbenzoic acid;tungsten
CID 23518478
1-(3-ethylazulen-1-yl)ethanone
CID 15255142
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid?
The IUPAC name of 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid (CID 175195543) is 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid is CCc1cc(C(=O)O)c(-c2ccccc2)c(C)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid?
The InChIKey is DWAVRCQSRPYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-11-9-13(16(18)19)14(10(2)15(11)17)12-7-5-4-6-8-12/h4-9,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid?
5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid is sourced from PubChem (CID 175195543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).