argon;(3-chlorophenyl)methyl benzoate

C14H11Ar11ClO2 — CID 174492322

IUPACargon;(3-chlorophenyl)methyl benzoate
SMILESO=C(OCc1cccc(Cl)c1)c1ccccc1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C14H11ClO2.11Ar/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12;;;;;;;;;;;/h1-9H,10H2;;;;;;;;;;;
InChIKeyNPJOFMIADLJBRZ-UHFFFAOYSA-N
MW686.12 g/mol
LogP3.70
Rot. Bonds3

About argon;(3-chlorophenyl)methyl benzoate

argon;(3-chlorophenyl)methyl benzoate (PubChem CID 174492322) has the molecular formula C14H11Ar11ClO2 and a molecular weight of 686.12 g/mol. Its IUPAC name is argon;(3-chlorophenyl)methyl benzoate.

Molecular Properties

Compound Nameargon;(3-chlorophenyl)methyl benzoate
PubChem CID174492322
Molecular FormulaC14H11Ar11ClO2
Molecular Weight686.12 g/mol
Exact Mass685.63
IUPAC Nameargon;(3-chlorophenyl)methyl benzoate
SMILESO=C(OCc1cccc(Cl)c1)c1ccccc1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C14H11ClO2.11Ar/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12;;;;;;;;;;;/h1-9H,10H2;;;;;;;;;;;
InChIKeyNPJOFMIADLJBRZ-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.12
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
benzyl benzoate
CID 2345
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
4-O-[(3-chlorophenyl)methyl] 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735460
(3-chlorophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275062
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917

Frequently Asked Questions

What is the IUPAC name of argon;(3-chlorophenyl)methyl benzoate?
The IUPAC name of argon;(3-chlorophenyl)methyl benzoate (CID 174492322) is argon;(3-chlorophenyl)methyl benzoate.
What is the SMILES notation for argon;(3-chlorophenyl)methyl benzoate?
The canonical SMILES for argon;(3-chlorophenyl)methyl benzoate is O=C(OCc1cccc(Cl)c1)c1ccccc1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;(3-chlorophenyl)methyl benzoate?
The InChIKey is NPJOFMIADLJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2.11Ar/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12;;;;;;;;;;;/h1-9H,10H2;;;;;;;;;;;.
What are the key properties of argon;(3-chlorophenyl)methyl benzoate?
argon;(3-chlorophenyl)methyl benzoate has a molecular weight of 686.12 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;(3-chlorophenyl)methyl benzoate is sourced from PubChem (CID 174492322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).