2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid

C16H24O3 — CID 22256255

IUPAC2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
SMILESCCCCCCC(C)c1cc(C)cc(C(=O)O)c1O
InChIInChI=1S/C16H24O3/c1-4-5-6-7-8-12(3)13-9-11(2)10-14(15(13)17)16(18)19/h9-10,12,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyKIHWNCNQJFSYNP-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.47
Rot. Bonds7

About 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid

2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid (PubChem CID 22256255) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
PubChem CID22256255
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
SMILESCCCCCCC(C)c1cc(C)cc(C(=O)O)c1O
InChIInChI=1S/C16H24O3/c1-4-5-6-7-8-12(3)13-9-11(2)10-14(15(13)17)16(18)19/h9-10,12,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyKIHWNCNQJFSYNP-UHFFFAOYSA-N
XLogP4.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.47
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

2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
3-hexan-2-yl-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 150931941
3-(1-aminoethyl)-2-hydroxy-5-methylbenzoic acid
CID 130826868
2-chloro-6-hexan-2-yl-4-methylphenol
CID 71385576
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid
CID 68811760
3,5-ditert-butyl-4-hydroxy-2-octadecan-2-ylbenzoic acid
CID 174750535
potassium 5-heptan-2-yl-4-hydroxy-2-methylbenzoate
CID 175708073
2-hexadecan-6-yl-4-hydroxybenzoic acid
CID 66602786
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
2-(1-carboxyheptyl)-4-hydroxybenzoic acid
CID 139776346

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid?
The IUPAC name of 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid (CID 22256255) is 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid is CCCCCCC(C)c1cc(C)cc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid?
The InChIKey is KIHWNCNQJFSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-5-6-7-8-12(3)13-9-11(2)10-14(15(13)17)16(18)19/h9-10,12,17H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid?
2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid has a molecular weight of 264.37 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid is sourced from PubChem (CID 22256255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).