4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid

C14H20O3 — CID 10060027

IUPAC4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
SMILESCOc1ccc(CCCC(=O)O)cc1C(C)C
InChIInChI=1S/C14H20O3/c1-10(2)12-9-11(5-4-6-14(15)16)7-8-13(12)17-3/h7-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyCGOQMJFEYSBSJJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.23
Rot. Bonds6

About 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid

4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid (PubChem CID 10060027) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
PubChem CID10060027
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
SMILESCOc1ccc(CCCC(=O)O)cc1C(C)C
InChIInChI=1S/C14H20O3/c1-10(2)12-9-11(5-4-6-14(15)16)7-8-13(12)17-3/h7-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyCGOQMJFEYSBSJJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methoxy-3-propan-2-ylphenyl)butanoic 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

4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
4-(3-chloro-5-methoxy-4-propan-2-ylphenyl)butanoic acid
CID 117430020
5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
CID 115218860
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
CID 94769293
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid (CID 10060027) is 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid is COc1ccc(CCCC(=O)O)cc1C(C)C.
What is the InChIKey of 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid?
The InChIKey is CGOQMJFEYSBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)12-9-11(5-4-6-14(15)16)7-8-13(12)17-3/h7-10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid?
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 10060027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).