2-(3,4-dichlorophenyl)hexanoic acid

C12H14Cl2O2 — CID 18626644

IUPAC2-(3,4-dichlorophenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2O2/c1-2-3-4-9(12(15)16)8-5-6-10(13)11(14)7-8/h5-7,9H,2-4H2,1H3,(H,15,16)
InChIKeyVIHDZYNCGUOTGF-UHFFFAOYSA-N
MW261.15 g/mol
LogP4.35
Rot. Bonds5

About 2-(3,4-dichlorophenyl)hexanoic acid

2-(3,4-dichlorophenyl)hexanoic acid (PubChem CID 18626644) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)hexanoic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)hexanoic acid
PubChem CID18626644
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name2-(3,4-dichlorophenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2O2/c1-2-3-4-9(12(15)16)8-5-6-10(13)11(14)7-8/h5-7,9H,2-4H2,1H3,(H,15,16)
InChIKeyVIHDZYNCGUOTGF-UHFFFAOYSA-N
XLogP4.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dichlorophenyl)hexanoic 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

2-(3,4-dichlorophenyl)-N-(methylcarbamoyl)hexanamide
CID 18626625
2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
methyl 2-(3-chloro-4-methylphenyl)hexanoate
CID 107560881
2-(2,4,5-trichlorophenyl)tridecanoic acid
CID 70563348
2-(4-fluorophenyl)heptanoic acid
CID 79435490
2-(3,4-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 154054083
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
2-(4-fluorophenyl)nonanoic acid
CID 79434490
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
2-(3-sulfanylphenyl)decanoic acid
CID 150411220

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)hexanoic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)hexanoic acid (CID 18626644) is 2-(3,4-dichlorophenyl)hexanoic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)hexanoic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)hexanoic acid is CCCCC(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)hexanoic acid?
The InChIKey is VIHDZYNCGUOTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-2-3-4-9(12(15)16)8-5-6-10(13)11(14)7-8/h5-7,9H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(3,4-dichlorophenyl)hexanoic acid?
2-(3,4-dichlorophenyl)hexanoic acid has a molecular weight of 261.15 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)hexanoic acid is sourced from PubChem (CID 18626644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).