4-(2-ethoxyphenoxy)-3-methylbenzoic acid

C16H16O4 — CID 62121144

IUPAC4-(2-ethoxyphenoxy)-3-methylbenzoic acid
SMILESCCOc1ccccc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C16H16O4/c1-3-19-14-6-4-5-7-15(14)20-13-9-8-12(16(17)18)10-11(13)2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyBXIPCUUZISKXKC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.88
Rot. Bonds5

About 4-(2-ethoxyphenoxy)-3-methylbenzoic acid

4-(2-ethoxyphenoxy)-3-methylbenzoic acid (PubChem CID 62121144) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-3-methylbenzoic acid
PubChem CID62121144
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(2-ethoxyphenoxy)-3-methylbenzoic acid
SMILESCCOc1ccccc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C16H16O4/c1-3-19-14-6-4-5-7-15(14)20-13-9-8-12(16(17)18)10-11(13)2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyBXIPCUUZISKXKC-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(2-ethoxyphenoxy)benzoic acid
CID 82800711
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
4-(2-acetamidophenoxy)-3-methylbenzoic acid
CID 62120796
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
CID 83951220

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-3-methylbenzoic acid?
The IUPAC name of 4-(2-ethoxyphenoxy)-3-methylbenzoic acid (CID 62121144) is 4-(2-ethoxyphenoxy)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-3-methylbenzoic acid?
The canonical SMILES for 4-(2-ethoxyphenoxy)-3-methylbenzoic acid is CCOc1ccccc1Oc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-(2-ethoxyphenoxy)-3-methylbenzoic acid?
The InChIKey is BXIPCUUZISKXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-14-6-4-5-7-15(14)20-13-9-8-12(16(17)18)10-11(13)2/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-ethoxyphenoxy)-3-methylbenzoic acid?
4-(2-ethoxyphenoxy)-3-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-3-methylbenzoic acid is sourced from PubChem (CID 62121144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).