3,4-diphenoxybenzoic acid

C19H14O4 — CID 70590459

IUPAC3,4-diphenoxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C19H14O4/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13H,(H,20,21)
InChIKeyMSOBTHGUAYYMES-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.97
Rot. Bonds5

About 3,4-diphenoxybenzoic acid

3,4-diphenoxybenzoic acid (PubChem CID 70590459) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3,4-diphenoxybenzoic acid.

Molecular Properties

Compound Name3,4-diphenoxybenzoic acid
PubChem CID70590459
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name3,4-diphenoxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C19H14O4/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13H,(H,20,21)
InChIKeyMSOBTHGUAYYMES-UHFFFAOYSA-N
XLogP4.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chlorosulfonyl-4-phenoxybenzoic acid
CID 125468626
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
biphenylene-2,6-dicarboxylic acid;phenoxybenzene;hydrochloride
CID 70598821
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
4-(4-carboxyphenoxy)-3-(2-phenylethynyl)benzoic acid
CID 139997179
3-bromo-4-(3-phenoxypropoxy)benzoic acid
CID 60665421
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
4-amino-3-(3-iodophenoxy)benzoic acid
CID 82796588
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenoxybenzoic acid?
The IUPAC name of 3,4-diphenoxybenzoic acid (CID 70590459) is 3,4-diphenoxybenzoic acid.
What is the SMILES notation for 3,4-diphenoxybenzoic acid?
The canonical SMILES for 3,4-diphenoxybenzoic acid is O=C(O)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of 3,4-diphenoxybenzoic acid?
The InChIKey is MSOBTHGUAYYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13H,(H,20,21).
What are the key properties of 3,4-diphenoxybenzoic acid?
3,4-diphenoxybenzoic acid has a molecular weight of 306.32 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenoxybenzoic acid is sourced from PubChem (CID 70590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).