2-(4-phenoxyphenoxy)benzoate

C19H13O4- — CID 6946814

IUPAC2-(4-phenoxyphenoxy)benzoate
SMILESO=C([O-])c1ccccc1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14O4/c20-19(21)17-8-4-5-9-18(17)23-16-12-10-15(11-13-16)22-14-6-2-1-3-7-14/h1-13H,(H,20,21)/p-1
InChIKeyGFPBQFJXNMDZEP-UHFFFAOYSA-M
MW305.31 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-phenoxyphenoxy)benzoate

2-(4-phenoxyphenoxy)benzoate (PubChem CID 6946814) has the molecular formula C19H13O4- and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)benzoate.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)benzoate
PubChem CID6946814
Molecular FormulaC19H13O4-
Molecular Weight305.31 g/mol
Exact Mass305.08
IUPAC Name2-(4-phenoxyphenoxy)benzoate
SMILESO=C([O-])c1ccccc1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14O4/c20-19(21)17-8-4-5-9-18(17)23-16-12-10-15(11-13-16)22-14-6-2-1-3-7-14/h1-13H,(H,20,21)/p-1
InChIKeyGFPBQFJXNMDZEP-UHFFFAOYSA-M
XLogP3.63
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)benzoate
CID 22015143
zinc;bis(2-(4-carboxyphenoxy)benzoate);bis(4-pyridin-4-ylpyridine);hydrate
CID 139199941
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
phenyl 2-phenoxybenzoate
CID 2471273
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
4-oxo-4-(2-phenoxyphenyl)butanoic acid
CID 11536339
2-phenoxy-N-phenylbenzamide
CID 3402306
2-(4-nitrophenoxy)benzoic acid
CID 139059188
sodium 2-iodooxybenzoate
CID 23692012
2-methoxybenzoate;hydrochloride
CID 18793456
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)benzoate?
The IUPAC name of 2-(4-phenoxyphenoxy)benzoate (CID 6946814) is 2-(4-phenoxyphenoxy)benzoate.
What is the SMILES notation for 2-(4-phenoxyphenoxy)benzoate?
The canonical SMILES for 2-(4-phenoxyphenoxy)benzoate is O=C([O-])c1ccccc1Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)benzoate?
The InChIKey is GFPBQFJXNMDZEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14O4/c20-19(21)17-8-4-5-9-18(17)23-16-12-10-15(11-13-16)22-14-6-2-1-3-7-14/h1-13H,(H,20,21)/p-1.
What are the key properties of 2-(4-phenoxyphenoxy)benzoate?
2-(4-phenoxyphenoxy)benzoate has a molecular weight of 305.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)benzoate is sourced from PubChem (CID 6946814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).