4-(3-methoxy-2-methylphenyl)butanoic acid

C12H16O3 — CID 18626500

IUPAC4-(3-methoxy-2-methylphenyl)butanoic acid
SMILESCOc1cccc(CCCC(=O)O)c1C
InChIInChI=1S/C12H16O3/c1-9-10(6-4-8-12(13)14)5-3-7-11(9)15-2/h3,5,7H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyRPCXFCHOYXRFPS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds5

About 4-(3-methoxy-2-methylphenyl)butanoic acid

4-(3-methoxy-2-methylphenyl)butanoic acid (PubChem CID 18626500) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3-methoxy-2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-2-methylphenyl)butanoic acid
PubChem CID18626500
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(3-methoxy-2-methylphenyl)butanoic acid
SMILESCOc1cccc(CCCC(=O)O)c1C
InChIInChI=1S/C12H16O3/c1-9-10(6-4-8-12(13)14)5-3-7-11(9)15-2/h3,5,7H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyRPCXFCHOYXRFPS-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
CID 115006348
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
8-(3-methoxy-2-methoxycarbonylphenyl)octanoic acid
CID 133052556
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-methylphenyl)butanoic acid?
The IUPAC name of 4-(3-methoxy-2-methylphenyl)butanoic acid (CID 18626500) is 4-(3-methoxy-2-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(3-methoxy-2-methylphenyl)butanoic acid?
The canonical SMILES for 4-(3-methoxy-2-methylphenyl)butanoic acid is COc1cccc(CCCC(=O)O)c1C.
What is the InChIKey of 4-(3-methoxy-2-methylphenyl)butanoic acid?
The InChIKey is RPCXFCHOYXRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-10(6-4-8-12(13)14)5-3-7-11(9)15-2/h3,5,7H,4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-methoxy-2-methylphenyl)butanoic acid?
4-(3-methoxy-2-methylphenyl)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-methylphenyl)butanoic acid is sourced from PubChem (CID 18626500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).