3-(4-chlorophenyl)-4-hydroxybutanoic acid

C10H11ClO3 — CID 6452751

IUPAC3-(4-chlorophenyl)-4-hydroxybutanoic acid
SMILESO=C(O)CC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyRTLXZWYTMZVUIO-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.89
Rot. Bonds4

About 3-(4-chlorophenyl)-4-hydroxybutanoic acid

3-(4-chlorophenyl)-4-hydroxybutanoic acid (PubChem CID 6452751) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-hydroxybutanoic acid
PubChem CID6452751
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(4-chlorophenyl)-4-hydroxybutanoic acid
SMILESO=C(O)CC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyRTLXZWYTMZVUIO-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorophenyl)acetic acid
CID 15880
Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
CID 16197
Bis(4-chlorophenyl)acetic acid
CID 6730
2,4-Dichlorophenylacetic acid
CID 88209
1-(p-Chlorophenyl)cyclobutanecarboxylic acid
CID 602761
3-Chlorophenylacetic acid
CID 15879
3-(3-Chlorophenyl)propanoic acid
CID 177164
o-Chlorophenylacetic acid
CID 17124
beta-(p-Chlorophenyl)propionic acid
CID 123137
4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
1-(4-Chlorophenyl)cyclopentanecarboxylic acid
CID 97447
Chlorfenprop
CID 26694

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-hydroxybutanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-4-hydroxybutanoic acid (CID 6452751) is 3-(4-chlorophenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-4-hydroxybutanoic acid is O=C(O)CC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-hydroxybutanoic acid?
The InChIKey is RTLXZWYTMZVUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14).
What are the key properties of 3-(4-chlorophenyl)-4-hydroxybutanoic acid?
3-(4-chlorophenyl)-4-hydroxybutanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 6452751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).