5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid

C24H24O3 — CID 139751283

IUPAC5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid
SMILESCc1cccc(C(c2ccc(O)c(C(=O)O)c2)c2cccc(C)c2C)c1C
InChIInChI=1S/C24H24O3/c1-14-7-5-9-19(16(14)3)23(20-10-6-8-15(2)17(20)4)18-11-12-22(25)21(13-18)24(26)27/h5-13,23,25H,1-4H3,(H,26,27)
InChIKeyZAYVLZLAWZDBNR-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.50
Rot. Bonds4

About 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid

5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid (PubChem CID 139751283) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid
PubChem CID139751283
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid
SMILESCc1cccc(C(c2ccc(O)c(C(=O)O)c2)c2cccc(C)c2C)c1C
InChIInChI=1S/C24H24O3/c1-14-7-5-9-19(16(14)3)23(20-10-6-8-15(2)17(20)4)18-11-12-22(25)21(13-18)24(26)27/h5-13,23,25H,1-4H3,(H,26,27)
InChIKeyZAYVLZLAWZDBNR-UHFFFAOYSA-N
XLogP5.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276012
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
CID 171250288
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxybenzoic acid
CID 28675962
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
CID 171211681
5-[(1S)-1-amino-2-sulfanylethyl]-2-hydroxybenzoic acid
CID 137455023
5-(1-amino-2-sulfanylethyl)-2-hydroxybenzoic acid
CID 142463282
2,5-dihydroxybenzoic acid;methanol
CID 174970806

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid (CID 139751283) is 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid is Cc1cccc(C(c2ccc(O)c(C(=O)O)c2)c2cccc(C)c2C)c1C.
What is the InChIKey of 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid?
The InChIKey is ZAYVLZLAWZDBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-14-7-5-9-19(16(14)3)23(20-10-6-8-15(2)17(20)4)18-11-12-22(25)21(13-18)24(26)27/h5-13,23,25H,1-4H3,(H,26,27).
What are the key properties of 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid?
5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid has a molecular weight of 360.45 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 139751283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).