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

C12H16O3 — CID 805716

IUPAC4-(4-methoxy-3-methylphenyl)butanoic acid
SMILESCOc1ccc(CCCC(=O)O)cc1C
InChIInChI=1S/C12H16O3/c1-9-8-10(4-3-5-12(13)14)6-7-11(9)15-2/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyCWNPAVGNPUYSNX-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds5

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

4-(4-methoxy-3-methylphenyl)butanoic acid (PubChem CID 805716) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)butanoic acid
PubChem CID805716
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(4-methoxy-3-methylphenyl)butanoic acid
SMILESCOc1ccc(CCCC(=O)O)cc1C
InChIInChI=1S/C12H16O3/c1-9-8-10(4-3-5-12(13)14)6-7-11(9)15-2/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyCWNPAVGNPUYSNX-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)butanoic acid?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)butanoic acid (CID 805716) is 4-(4-methoxy-3-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)butanoic acid?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)butanoic acid is COc1ccc(CCCC(=O)O)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)butanoic acid?
The InChIKey is CWNPAVGNPUYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-8-10(4-3-5-12(13)14)6-7-11(9)15-2/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-methoxy-3-methylphenyl)butanoic acid?
4-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)butanoic acid is sourced from PubChem (CID 805716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).