2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid

C24H32O3 — CID 139676721

IUPAC2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid
SMILESCCCCCCCCC(C)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C24H32O3/c1-4-5-6-7-8-12-17-24(3,19-13-10-9-11-14-19)20-16-15-18(2)21(22(20)25)23(26)27/h9-11,13-16,25H,4-8,12,17H2,1-3H3,(H,26,27)
InChIKeyGFUOZSYNJSNAQR-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.46
Rot. Bonds10

About 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid

2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid (PubChem CID 139676721) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid
PubChem CID139676721
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid
SMILESCCCCCCCCC(C)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C24H32O3/c1-4-5-6-7-8-12-17-24(3,19-13-10-9-11-14-19)20-16-15-18(2)21(22(20)25)23(26)27/h9-11,13-16,25H,4-8,12,17H2,1-3H3,(H,26,27)
InChIKeyGFUOZSYNJSNAQR-UHFFFAOYSA-N
XLogP6.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
CID 14883392
2-hydroxy-6-methyl-3-(3-phenyldecan-3-yl)benzoic acid
CID 139676735
2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid
CID 139676728
2,2-diphenyltridecan-7-one
CID 91284823
4-(2-phenyloctan-2-yl)phenol
CID 174541966
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
4-[2-(4-hydroxyphenyl)octan-2-yl]benzene-1,2,3-triol
CID 139838646
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-nonyl-2-phenylpropanedioic acid
CID 70554602
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid (CID 139676721) is 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid is CCCCCCCCC(C)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid?
The InChIKey is GFUOZSYNJSNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-4-5-6-7-8-12-17-24(3,19-13-10-9-11-14-19)20-16-15-18(2)21(22(20)25)23(26)27/h9-11,13-16,25H,4-8,12,17H2,1-3H3,(H,26,27).
What are the key properties of 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid?
2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid has a molecular weight of 368.52 g/mol, XLogP of 6.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid is sourced from PubChem (CID 139676721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).