4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid

C16H16O5 — CID 62136478

IUPAC4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
SMILESCOc1cccc(OC)c1Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C16H16O5/c1-10-9-11(7-8-12(10)16(17)18)21-15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyAVLJPKGNPQQCOU-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.50
Rot. Bonds5

About 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid

4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid (PubChem CID 62136478) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
PubChem CID62136478
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
SMILESCOc1cccc(OC)c1Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C16H16O5/c1-10-9-11(7-8-12(10)16(17)18)21-15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyAVLJPKGNPQQCOU-UHFFFAOYSA-N
XLogP3.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
4-(4-cyano-2-methoxyphenoxy)-2-methylbenzoic acid
CID 62134443
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
4-(2-cyano-3-methylsulfanylphenoxy)-2-methylbenzoic acid
CID 107672549
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010
2-methyl-4-[1-(3,4,5-trimethoxyphenyl)propoxy]benzoic acid
CID 70358573
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
CID 130396444
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid (CID 62136478) is 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid is COc1cccc(OC)c1Oc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid?
The InChIKey is AVLJPKGNPQQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-10-9-11(7-8-12(10)16(17)18)21-15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid?
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid is sourced from PubChem (CID 62136478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).