4-(4-chloro-3-methoxyphenyl)butanoic acid

C11H13ClO3 — CID 83710715

IUPAC4-(4-chloro-3-methoxyphenyl)butanoic acid
SMILESCOc1cc(CCCC(=O)O)ccc1Cl
InChIInChI=1S/C11H13ClO3/c1-15-10-7-8(5-6-9(10)12)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyINOAQUZXMAZYAM-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.76
Rot. Bonds5

About 4-(4-chloro-3-methoxyphenyl)butanoic acid

4-(4-chloro-3-methoxyphenyl)butanoic acid (PubChem CID 83710715) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)butanoic acid
PubChem CID83710715
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name4-(4-chloro-3-methoxyphenyl)butanoic acid
SMILESCOc1cc(CCCC(=O)O)ccc1Cl
InChIInChI=1S/C11H13ClO3/c1-15-10-7-8(5-6-9(10)12)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyINOAQUZXMAZYAM-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(3-chloro-4-fluoro-5-methoxyphenyl)butanoic acid
CID 117369145
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
4-(3-chloro-5-methoxy-4-propan-2-ylphenyl)butanoic acid
CID 117430020
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)butanoic acid?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)butanoic acid (CID 83710715) is 4-(4-chloro-3-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)butanoic acid is COc1cc(CCCC(=O)O)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)butanoic acid?
The InChIKey is INOAQUZXMAZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-15-10-7-8(5-6-9(10)12)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)butanoic acid?
4-(4-chloro-3-methoxyphenyl)butanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)butanoic acid is sourced from PubChem (CID 83710715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).