phenyl 4-formyloxybenzoate

C14H10O4 — CID 118686744

IUPACphenyl 4-formyloxybenzoate
SMILESO=COc1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C14H10O4/c15-10-17-12-8-6-11(7-9-12)14(16)18-13-4-2-1-3-5-13/h1-10H
InChIKeyAZYQHOGAZFFHDE-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.44
Rot. Bonds4

About phenyl 4-formyloxybenzoate

phenyl 4-formyloxybenzoate (PubChem CID 118686744) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is phenyl 4-formyloxybenzoate.

Molecular Properties

Compound Namephenyl 4-formyloxybenzoate
PubChem CID118686744
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Namephenyl 4-formyloxybenzoate
SMILESO=COc1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C14H10O4/c15-10-17-12-8-6-11(7-9-12)14(16)18-13-4-2-1-3-5-13/h1-10H
InChIKeyAZYQHOGAZFFHDE-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl 4-formyloxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(4-butoxyphenyl) 4-formyloxybenzoate
CID 101317505
λ2-plumbane;phenyl formate
CID 174910364
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate
CID 87527873
(4-phenoxycarbonylphenyl) 4-(2-phenylethynyl)benzoate
CID 20724320
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
phenyl 4-[(E)-2-bromoethenyl]benzoate
CID 102410543

Frequently Asked Questions

What is the IUPAC name of phenyl 4-formyloxybenzoate?
The IUPAC name of phenyl 4-formyloxybenzoate (CID 118686744) is phenyl 4-formyloxybenzoate.
What is the SMILES notation for phenyl 4-formyloxybenzoate?
The canonical SMILES for phenyl 4-formyloxybenzoate is O=COc1ccc(C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 4-formyloxybenzoate?
The InChIKey is AZYQHOGAZFFHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-10-17-12-8-6-11(7-9-12)14(16)18-13-4-2-1-3-5-13/h1-10H.
What are the key properties of phenyl 4-formyloxybenzoate?
phenyl 4-formyloxybenzoate has a molecular weight of 242.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-formyloxybenzoate is sourced from PubChem (CID 118686744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).