5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid

C12H15BrO3 — CID 132525503

IUPAC5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid
SMILESCCCC[C@H](O)c1ccc(Br)cc1C(=O)O
InChIInChI=1S/C12H15BrO3/c1-2-3-4-11(14)9-6-5-8(13)7-10(9)12(15)16/h5-7,11,14H,2-4H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyHZEOKIXKYINUKT-NSHDSACASA-N
MW287.15 g/mol
LogP3.37
Rot. Bonds5

About 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid

5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid (PubChem CID 132525503) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid
PubChem CID132525503
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid
SMILESCCCC[C@H](O)c1ccc(Br)cc1C(=O)O
InChIInChI=1S/C12H15BrO3/c1-2-3-4-11(14)9-6-5-8(13)7-10(9)12(15)16/h5-7,11,14H,2-4H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyHZEOKIXKYINUKT-NSHDSACASA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
5-bromo-2-butylsulfanylbenzoic acid
CID 114896235
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
5-bromo-2-(5-fluoro-1-hydroxypentyl)benzoate
CID 149416686
5-bromo-2-(2-methylnonan-5-yloxycarbonyl)benzoic acid
CID 139909233
2-[(1R)-1-amino-2-hydroxyethyl]-5-bromobenzoic acid
CID 66515307
5-bromo-2-nonoxybenzoic acid
CID 43129492
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid?
The IUPAC name of 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid (CID 132525503) is 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid?
The canonical SMILES for 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid is CCCC[C@H](O)c1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid?
The InChIKey is HZEOKIXKYINUKT-NSHDSACASA-N. The full InChI is InChI=1S/C12H15BrO3/c1-2-3-4-11(14)9-6-5-8(13)7-10(9)12(15)16/h5-7,11,14H,2-4H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid?
5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid has a molecular weight of 287.15 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid is sourced from PubChem (CID 132525503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).