phenoxybenzene;phenyl acetate

C20H18O3 — CID 159251324

IUPACphenoxybenzene;phenyl acetate
SMILESCC(=O)Oc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(9)10-8-5-3-2-4-6-8/h1-10H;2-6H,1H3
InChIKeyKVIJGCGCAZPNKW-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.09
Rot. Bonds3

About phenoxybenzene;phenyl acetate

phenoxybenzene;phenyl acetate (PubChem CID 159251324) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is phenoxybenzene;phenyl acetate.

Molecular Properties

Compound Namephenoxybenzene;phenyl acetate
PubChem CID159251324
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namephenoxybenzene;phenyl acetate
SMILESCC(=O)Oc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(9)10-8-5-3-2-4-6-8/h1-10H;2-6H,1H3
InChIKeyKVIJGCGCAZPNKW-UHFFFAOYSA-N
XLogP5.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenoxybenzene;phenyl acetate 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

phenyl acetate;hydroiodide
CID 172788123
sodium;hydride;phenyl acetate
CID 159991718
lithium;hydride;phenyl acetate
CID 173276859
diphenyl carbonate;phenyl acetate
CID 90936233
sodium;phenyl acetate;sulfur dioxide
CID 172838332
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
acetonitrile;phenyl acetate
CID 175488590
azane;ethanol;mercury;phenyl acetate
CID 70517650
phenyl acetate;thiophene
CID 174909325
phenyl acetate;propan-1-ol
CID 70298210
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
cyclohexane-1,4-diamine;phenyl acetate
CID 160761577

Frequently Asked Questions

What is the IUPAC name of phenoxybenzene;phenyl acetate?
The IUPAC name of phenoxybenzene;phenyl acetate (CID 159251324) is phenoxybenzene;phenyl acetate.
What is the SMILES notation for phenoxybenzene;phenyl acetate?
The canonical SMILES for phenoxybenzene;phenyl acetate is CC(=O)Oc1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of phenoxybenzene;phenyl acetate?
The InChIKey is KVIJGCGCAZPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C8H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(9)10-8-5-3-2-4-6-8/h1-10H;2-6H,1H3.
What are the key properties of phenoxybenzene;phenyl acetate?
phenoxybenzene;phenyl acetate has a molecular weight of 306.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxybenzene;phenyl acetate is sourced from PubChem (CID 159251324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).