phenyl 2-phenoxybenzoate

C19H14O3 — CID 2471273

IUPACphenyl 2-phenoxybenzoate
SMILESO=C(Oc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H14O3/c20-19(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)21-15-9-3-1-4-10-15/h1-14H
InChIKeyKDIILCSPFULFPX-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.70
Rot. Bonds4

About phenyl 2-phenoxybenzoate

phenyl 2-phenoxybenzoate (PubChem CID 2471273) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is phenyl 2-phenoxybenzoate.

Molecular Properties

Compound Namephenyl 2-phenoxybenzoate
PubChem CID2471273
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Namephenyl 2-phenoxybenzoate
SMILESO=C(Oc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H14O3/c20-19(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)21-15-9-3-1-4-10-15/h1-14H
InChIKeyKDIILCSPFULFPX-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
CID 57464622
(4-acetamidophenyl) 2-phenoxybenzoate
CID 26188165
phenyl 2-butanoyloxybenzoate
CID 174960462
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
phenyl 2-(2-oxoethoxy)benzoate
CID 54027293
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
2-(4-phenoxyphenoxy)benzoate
CID 6946814
benzoic acid;2-phenoxybenzoic acid
CID 160712085
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474

Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenoxybenzoate?
The IUPAC name of phenyl 2-phenoxybenzoate (CID 2471273) is phenyl 2-phenoxybenzoate.
What is the SMILES notation for phenyl 2-phenoxybenzoate?
The canonical SMILES for phenyl 2-phenoxybenzoate is O=C(Oc1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of phenyl 2-phenoxybenzoate?
The InChIKey is KDIILCSPFULFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-19(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)21-15-9-3-1-4-10-15/h1-14H.
What are the key properties of phenyl 2-phenoxybenzoate?
phenyl 2-phenoxybenzoate has a molecular weight of 290.32 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenoxybenzoate is sourced from PubChem (CID 2471273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).