3-chloro-5-(4-chlorophenyl)pentanoic acid

C11H12Cl2O2 — CID 22472002

IUPAC3-chloro-5-(4-chlorophenyl)pentanoic acid
SMILESO=C(O)CC(Cl)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2O2/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-2,4-5,10H,3,6-7H2,(H,14,15)
InChIKeyYMESVJOXNAEIBM-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.35
Rot. Bonds5

About 3-chloro-5-(4-chlorophenyl)pentanoic acid

3-chloro-5-(4-chlorophenyl)pentanoic acid (PubChem CID 22472002) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorophenyl)pentanoic acid.

Molecular Properties

Compound Name3-chloro-5-(4-chlorophenyl)pentanoic acid
PubChem CID22472002
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3-chloro-5-(4-chlorophenyl)pentanoic acid
SMILESO=C(O)CC(Cl)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2O2/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-2,4-5,10H,3,6-7H2,(H,14,15)
InChIKeyYMESVJOXNAEIBM-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-6-(4-chlorophenyl)hexanoic acid
CID 58633540
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
2-chloro-12-(4-chlorophenyl)-10-hydroxydodecanoic acid
CID 174488314
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
CID 134304846
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
(3R)-6-(4-chlorophenyl)-3-(1,3-diacetyloxypropan-2-ylcarbamoyl)hexanoic acid
CID 139749807
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
4-(4-chloroanilino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid
CID 3122015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chlorophenyl)pentanoic acid?
The IUPAC name of 3-chloro-5-(4-chlorophenyl)pentanoic acid (CID 22472002) is 3-chloro-5-(4-chlorophenyl)pentanoic acid.
What is the SMILES notation for 3-chloro-5-(4-chlorophenyl)pentanoic acid?
The canonical SMILES for 3-chloro-5-(4-chlorophenyl)pentanoic acid is O=C(O)CC(Cl)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-5-(4-chlorophenyl)pentanoic acid?
The InChIKey is YMESVJOXNAEIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-2,4-5,10H,3,6-7H2,(H,14,15).
What are the key properties of 3-chloro-5-(4-chlorophenyl)pentanoic acid?
3-chloro-5-(4-chlorophenyl)pentanoic acid has a molecular weight of 247.12 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chlorophenyl)pentanoic acid is sourced from PubChem (CID 22472002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).