ethyl 4-[(4-chlorophenyl)methyl]benzoate

C16H15ClO2 — CID 11414671

IUPACethyl 4-[(4-chlorophenyl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/c1-2-19-16(18)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3
InChIKeyIWZFBDAPZVJUHI-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.11
Rot. Bonds4

About ethyl 4-[(4-chlorophenyl)methyl]benzoate

ethyl 4-[(4-chlorophenyl)methyl]benzoate (PubChem CID 11414671) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)methyl]benzoate
PubChem CID11414671
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Nameethyl 4-[(4-chlorophenyl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/c1-2-19-16(18)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3
InChIKeyIWZFBDAPZVJUHI-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
CID 20516641
ethyl 4-(furan-3-ylmethyl)benzoate
CID 101411930
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
ethyl 4-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1302728

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)methyl]benzoate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)methyl]benzoate (CID 11414671) is ethyl 4-[(4-chlorophenyl)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)methyl]benzoate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)methyl]benzoate is CCOC(=O)c1ccc(Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)methyl]benzoate?
The InChIKey is IWZFBDAPZVJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-19-16(18)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 4-[(4-chlorophenyl)methyl]benzoate?
ethyl 4-[(4-chlorophenyl)methyl]benzoate has a molecular weight of 274.75 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)methyl]benzoate is sourced from PubChem (CID 11414671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).