4-ethoxy-3-(4-methoxyphenyl)benzoic acid

C16H16O4 — CID 110282209

IUPAC4-ethoxy-3-(4-methoxyphenyl)benzoic acid
SMILESCCOc1ccc(C(=O)O)cc1-c1ccc(OC)cc1
InChIInChI=1S/C16H16O4/c1-3-20-15-9-6-12(16(17)18)10-14(15)11-4-7-13(19-2)8-5-11/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyLUVQSASFYPLRRN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.46
Rot. Bonds5

About 4-ethoxy-3-(4-methoxyphenyl)benzoic acid

4-ethoxy-3-(4-methoxyphenyl)benzoic acid (PubChem CID 110282209) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-ethoxy-3-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-ethoxy-3-(4-methoxyphenyl)benzoic acid
PubChem CID110282209
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-ethoxy-3-(4-methoxyphenyl)benzoic acid
SMILESCCOc1ccc(C(=O)O)cc1-c1ccc(OC)cc1
InChIInChI=1S/C16H16O4/c1-3-20-15-9-6-12(16(17)18)10-14(15)11-4-7-13(19-2)8-5-11/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyLUVQSASFYPLRRN-UHFFFAOYSA-N
XLogP3.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-carboxyphenyl)-2,5-diethoxyphenyl]benzoic acid
CID 122385640
2-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 22987085
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
4-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-3-ethoxybenzoic acid
CID 20988478
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
(E)-3-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 22987086
3-(4-hexoxyphenyl)-4-(4-octoxyphenyl)benzoic acid
CID 154106554
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
CID 70564094

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 4-ethoxy-3-(4-methoxyphenyl)benzoic acid (CID 110282209) is 4-ethoxy-3-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-ethoxy-3-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-ethoxy-3-(4-methoxyphenyl)benzoic acid is CCOc1ccc(C(=O)O)cc1-c1ccc(OC)cc1.
What is the InChIKey of 4-ethoxy-3-(4-methoxyphenyl)benzoic acid?
The InChIKey is LUVQSASFYPLRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-20-15-9-6-12(16(17)18)10-14(15)11-4-7-13(19-2)8-5-11/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-ethoxy-3-(4-methoxyphenyl)benzoic acid?
4-ethoxy-3-(4-methoxyphenyl)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 110282209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).