3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid

C16H16O4 — CID 54447835

IUPAC3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
SMILESCOc1ccc(-c2c(C)cc(C(=O)O)cc2OC)cc1
InChIInChI=1S/C16H16O4/c1-10-8-12(16(17)18)9-14(20-3)15(10)11-4-6-13(19-2)7-5-11/h4-9H,1-3H3,(H,17,18)
InChIKeyWSULPQFORAXTCY-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds4

About 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid

3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid (PubChem CID 54447835) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
PubChem CID54447835
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
SMILESCOc1ccc(-c2c(C)cc(C(=O)O)cc2OC)cc1
InChIInChI=1S/C16H16O4/c1-10-8-12(16(17)18)9-14(20-3)15(10)11-4-6-13(19-2)7-5-11/h4-9H,1-3H3,(H,17,18)
InChIKeyWSULPQFORAXTCY-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid?
The IUPAC name of 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid (CID 54447835) is 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid.
What is the SMILES notation for 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid?
The canonical SMILES for 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid is COc1ccc(-c2c(C)cc(C(=O)O)cc2OC)cc1.
What is the InChIKey of 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid?
The InChIKey is WSULPQFORAXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-8-12(16(17)18)9-14(20-3)15(10)11-4-6-13(19-2)7-5-11/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid?
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid is sourced from PubChem (CID 54447835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).