2,3-dimethoxy-4-phenylbenzoic acid

C15H14O4 — CID 22633208

IUPAC2,3-dimethoxy-4-phenylbenzoic acid
SMILESCOc1c(C(=O)O)ccc(-c2ccccc2)c1OC
InChIInChI=1S/C15H14O4/c1-18-13-11(10-6-4-3-5-7-10)8-9-12(15(16)17)14(13)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyGPDGYTLOPNNGKX-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.07
Rot. Bonds4

About 2,3-dimethoxy-4-phenylbenzoic acid

2,3-dimethoxy-4-phenylbenzoic acid (PubChem CID 22633208) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,3-dimethoxy-4-phenylbenzoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-4-phenylbenzoic acid
PubChem CID22633208
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2,3-dimethoxy-4-phenylbenzoic acid
SMILESCOc1c(C(=O)O)ccc(-c2ccccc2)c1OC
InChIInChI=1S/C15H14O4/c1-18-13-11(10-6-4-3-5-7-10)8-9-12(15(16)17)14(13)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyGPDGYTLOPNNGKX-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

2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
3-[3-(hydroxymethyl)phenyl]-2-methoxybenzoic acid
CID 53225350
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
CID 53227127
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
2,6-dimethoxy-3-phenylbenzamide
CID 68897697

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-phenylbenzoic acid?
The IUPAC name of 2,3-dimethoxy-4-phenylbenzoic acid (CID 22633208) is 2,3-dimethoxy-4-phenylbenzoic acid.
What is the SMILES notation for 2,3-dimethoxy-4-phenylbenzoic acid?
The canonical SMILES for 2,3-dimethoxy-4-phenylbenzoic acid is COc1c(C(=O)O)ccc(-c2ccccc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-4-phenylbenzoic acid?
The InChIKey is GPDGYTLOPNNGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-11(10-6-4-3-5-7-10)8-9-12(15(16)17)14(13)19-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2,3-dimethoxy-4-phenylbenzoic acid?
2,3-dimethoxy-4-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 2,3-dimethoxy-4-phenylbenzoic acid is sourced from PubChem (CID 22633208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).