2-methoxy-5,6-dimethyl-3-phenylbenzoic acid

C16H16O3 — CID 175512460

IUPAC2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
SMILESCOc1c(-c2ccccc2)cc(C)c(C)c1C(=O)O
InChIInChI=1S/C16H16O3/c1-10-9-13(12-7-5-4-6-8-12)15(19-3)14(11(10)2)16(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyIGBQUQLBXPYGCO-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.68
Rot. Bonds3

About 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid

2-methoxy-5,6-dimethyl-3-phenylbenzoic acid (PubChem CID 175512460) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
PubChem CID175512460
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
SMILESCOc1c(-c2ccccc2)cc(C)c(C)c1C(=O)O
InChIInChI=1S/C16H16O3/c1-10-9-13(12-7-5-4-6-8-12)15(19-3)14(11(10)2)16(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyIGBQUQLBXPYGCO-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
CID 67319956

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid?
The IUPAC name of 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid (CID 175512460) is 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid.
What is the SMILES notation for 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid?
The canonical SMILES for 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid is COc1c(-c2ccccc2)cc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid?
The InChIKey is IGBQUQLBXPYGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-9-13(12-7-5-4-6-8-12)15(19-3)14(11(10)2)16(17)18/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid?
2-methoxy-5,6-dimethyl-3-phenylbenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6-dimethyl-3-phenylbenzoic acid is sourced from PubChem (CID 175512460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).