2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid

C19H22O4 — CID 71083072

IUPAC2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2ccc(C(=O)O)c(OCC)c2)cc1C
InChIInChI=1S/C19H22O4/c1-4-10-23-17-9-7-14(11-13(17)3)15-6-8-16(19(20)21)18(12-15)22-5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyMWXXXPLEZIHZCF-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.55
Rot. Bonds7

About 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid

2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid (PubChem CID 71083072) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
PubChem CID71083072
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2ccc(C(=O)O)c(OCC)c2)cc1C
InChIInChI=1S/C19H22O4/c1-4-10-23-17-9-7-14(11-13(17)3)15-6-8-16(19(20)21)18(12-15)22-5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyMWXXXPLEZIHZCF-UHFFFAOYSA-N
XLogP4.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
4-(3,5-dimethyl-4-propoxyphenyl)-2-(4-methylphenoxy)benzoic acid;ethane
CID 142932454
4-[4-(2-iodoethoxy)-3-methylphenyl]-2-phenoxybenzoic acid
CID 147938385
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
4-[4-(2-iodoethoxy)-3-methylphenyl]-3-propoxybenzoic acid
CID 146688577
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
4-[3-(methylamino)-4-propoxyphenyl]-2-propan-2-ylbenzoic acid
CID 142932415
2-butoxy-1-methyl-4-(4-methyl-3-propoxyphenyl)benzene
CID 165016144
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921
2-pentoxyterephthalic acid
CID 86182031
2-butoxy-4-hydroxybenzoic acid
CID 70316659
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid?
The IUPAC name of 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid (CID 71083072) is 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid.
What is the SMILES notation for 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid?
The canonical SMILES for 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid is CCCOc1ccc(-c2ccc(C(=O)O)c(OCC)c2)cc1C.
What is the InChIKey of 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid?
The InChIKey is MWXXXPLEZIHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-10-23-17-9-7-14(11-13(17)3)15-6-8-16(19(20)21)18(12-15)22-5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21).
What are the key properties of 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid?
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid has a molecular weight of 314.38 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid is sourced from PubChem (CID 71083072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).