2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid

C24H32O3 — CID 139676728

IUPAC2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid
SMILESCCCCCC(CCCC)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C24H32O3/c1-4-6-11-17-24(16-7-5-2,19-12-9-8-10-13-19)20-15-14-18(3)21(22(20)25)23(26)27/h8-10,12-15,25H,4-7,11,16-17H2,1-3H3,(H,26,27)
InChIKeyQVOAETZJJXDMHY-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.46
Rot. Bonds10

About 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid

2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid (PubChem CID 139676728) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid
PubChem CID139676728
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid
SMILESCCCCCC(CCCC)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C24H32O3/c1-4-6-11-17-24(16-7-5-2,19-12-9-8-10-13-19)20-15-14-18(3)21(22(20)25)23(26)27/h8-10,12-15,25H,4-7,11,16-17H2,1-3H3,(H,26,27)
InChIKeyQVOAETZJJXDMHY-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-(3-phenyldecan-3-yl)benzoic acid
CID 139676735
2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid
CID 139676721
2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
CID 14883392
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
(1-chloro-2-phenylundecan-2-yl)benzene
CID 152536169
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
dilithium;2-pentyl-2-phenylpropanedioate
CID 139412066
4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride
CID 173241718
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-nonyl-2-phenylpropanedioic acid
CID 70554602

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid (CID 139676728) is 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid is CCCCCC(CCCC)(c1ccccc1)c1ccc(C)c(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid?
The InChIKey is QVOAETZJJXDMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-4-6-11-17-24(16-7-5-2,19-12-9-8-10-13-19)20-15-14-18(3)21(22(20)25)23(26)27/h8-10,12-15,25H,4-7,11,16-17H2,1-3H3,(H,26,27).
What are the key properties of 2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid?
2-hydroxy-6-methyl-3-(5-phenyldecan-5-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-(5-phenyldecan-5-yl)benzoic acid is sourced from PubChem (CID 139676728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).