2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate

C22H17ClO4 — CID 7865480

IUPAC2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
SMILESO=C(OCCOc1ccccc1Cl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H17ClO4/c23-19-12-6-7-13-20(19)26-14-15-27-22(25)18-11-5-4-10-17(18)21(24)16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyAOQQVNLEBSPBFC-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.81
Rot. Bonds7

About 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate

2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate (PubChem CID 7865480) has the molecular formula C22H17ClO4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
PubChem CID7865480
Molecular FormulaC22H17ClO4
Molecular Weight380.83 g/mol
Exact Mass380.08
IUPAC Name2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
SMILESO=C(OCCOc1ccccc1Cl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H17ClO4/c23-19-12-6-7-13-20(19)26-14-15-27-22(25)18-11-5-4-10-17(18)21(24)16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyAOQQVNLEBSPBFC-UHFFFAOYSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-O-[2-(2-chlorophenoxy)ethyl] 1-O-octyl benzene-1,2-dicarboxylate
CID 91731823
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
CID 141062462
2-(4-chlorophenyl)sulfanylethyl 2-benzoylbenzoate
CID 7695819
2-(4-bromophenoxy)ethyl 2-(4-chlorobenzoyl)benzoate
CID 2548738
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400
2-(2-chlorophenoxy)ethyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385771
[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 7919222
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate (CID 7865480) is 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate is O=C(OCCOc1ccccc1Cl)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate?
The InChIKey is AOQQVNLEBSPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO4/c23-19-12-6-7-13-20(19)26-14-15-27-22(25)18-11-5-4-10-17(18)21(24)16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate?
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate has a molecular weight of 380.83 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate is sourced from PubChem (CID 7865480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).