methane;(4-methylphenyl) 4-chlorobenzoate

C15H15ClO2 — CID 158517384

IUPACmethane;(4-methylphenyl) 4-chlorobenzoate
SMILESC.Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO2.CH4/c1-10-2-8-13(9-3-10)17-14(16)11-4-6-12(15)7-5-11;/h2-9H,1H3;1H4
InChIKeyHLUIFXIKCRMRAZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.50
Rot. Bonds2

About methane;(4-methylphenyl) 4-chlorobenzoate

methane;(4-methylphenyl) 4-chlorobenzoate (PubChem CID 158517384) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is methane;(4-methylphenyl) 4-chlorobenzoate.

Molecular Properties

Compound Namemethane;(4-methylphenyl) 4-chlorobenzoate
PubChem CID158517384
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Namemethane;(4-methylphenyl) 4-chlorobenzoate
SMILESC.Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO2.CH4/c1-10-2-8-13(9-3-10)17-14(16)11-4-6-12(15)7-5-11;/h2-9H,1H3;1H4
InChIKeyHLUIFXIKCRMRAZ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
(3,4-dimethylphenyl) 4-chlorobenzoate;methane
CID 159732966
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826

Frequently Asked Questions

What is the IUPAC name of methane;(4-methylphenyl) 4-chlorobenzoate?
The IUPAC name of methane;(4-methylphenyl) 4-chlorobenzoate (CID 158517384) is methane;(4-methylphenyl) 4-chlorobenzoate.
What is the SMILES notation for methane;(4-methylphenyl) 4-chlorobenzoate?
The canonical SMILES for methane;(4-methylphenyl) 4-chlorobenzoate is C.Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methane;(4-methylphenyl) 4-chlorobenzoate?
The InChIKey is HLUIFXIKCRMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2.CH4/c1-10-2-8-13(9-3-10)17-14(16)11-4-6-12(15)7-5-11;/h2-9H,1H3;1H4.
What are the key properties of methane;(4-methylphenyl) 4-chlorobenzoate?
methane;(4-methylphenyl) 4-chlorobenzoate has a molecular weight of 262.74 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4-methylphenyl) 4-chlorobenzoate is sourced from PubChem (CID 158517384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).