2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid

C17H16O4 — CID 166151352

IUPAC2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid
SMILESCOc1cc(C)ccc1C(=O)c1cccc(C)c1C(=O)O
InChIInChI=1S/C17H16O4/c1-10-7-8-12(14(9-10)21-3)16(18)13-6-4-5-11(2)15(13)17(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyGYDVKEHPZZNAFP-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid

2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid (PubChem CID 166151352) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid
PubChem CID166151352
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid
SMILESCOc1cc(C)ccc1C(=O)c1cccc(C)c1C(=O)O
InChIInChI=1S/C17H16O4/c1-10-7-8-12(14(9-10)21-3)16(18)13-6-4-5-11(2)15(13)17(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyGYDVKEHPZZNAFP-UHFFFAOYSA-N
XLogP3.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid?
The IUPAC name of 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid (CID 166151352) is 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid.
What is the SMILES notation for 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid?
The canonical SMILES for 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid is COc1cc(C)ccc1C(=O)c1cccc(C)c1C(=O)O.
What is the InChIKey of 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid?
The InChIKey is GYDVKEHPZZNAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-10-7-8-12(14(9-10)21-3)16(18)13-6-4-5-11(2)15(13)17(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid?
2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid is sourced from PubChem (CID 166151352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).