2,6-dimethoxy-3-phenylbenzoic acid

C15H14O4 — CID 68897922

IUPAC2,6-dimethoxy-3-phenylbenzoic acid
SMILESCOc1ccc(-c2ccccc2)c(OC)c1C(=O)O
InChIInChI=1S/C15H14O4/c1-18-12-9-8-11(10-6-4-3-5-7-10)14(19-2)13(12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyYWDNBOQNFOCGOG-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.07
Rot. Bonds4

About 2,6-dimethoxy-3-phenylbenzoic acid

2,6-dimethoxy-3-phenylbenzoic acid (PubChem CID 68897922) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,6-dimethoxy-3-phenylbenzoic acid.

Molecular Properties

Compound Name2,6-dimethoxy-3-phenylbenzoic acid
PubChem CID68897922
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2,6-dimethoxy-3-phenylbenzoic acid
SMILESCOc1ccc(-c2ccccc2)c(OC)c1C(=O)O
InChIInChI=1S/C15H14O4/c1-18-12-9-8-11(10-6-4-3-5-7-10)14(19-2)13(12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyYWDNBOQNFOCGOG-UHFFFAOYSA-N
XLogP3.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
CID 175512460
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1-[4-(2,6-dimethoxy-3-phenylphenyl)phenyl]-2,2,2-trifluoroethanone
CID 42638415

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-phenylbenzoic acid?
The IUPAC name of 2,6-dimethoxy-3-phenylbenzoic acid (CID 68897922) is 2,6-dimethoxy-3-phenylbenzoic acid.
What is the SMILES notation for 2,6-dimethoxy-3-phenylbenzoic acid?
The canonical SMILES for 2,6-dimethoxy-3-phenylbenzoic acid is COc1ccc(-c2ccccc2)c(OC)c1C(=O)O.
What is the InChIKey of 2,6-dimethoxy-3-phenylbenzoic acid?
The InChIKey is YWDNBOQNFOCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-12-9-8-11(10-6-4-3-5-7-10)14(19-2)13(12)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2,6-dimethoxy-3-phenylbenzoic acid?
2,6-dimethoxy-3-phenylbenzoic acid has a molecular weight of 258.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-phenylbenzoic acid is sourced from PubChem (CID 68897922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).