2-[2-(chloromethyl)phenyl]ethyl benzoate

C16H15ClO2 — CID 2794926

IUPAC2-[2-(chloromethyl)phenyl]ethyl benzoate
SMILESO=C(OCCc1ccccc1CCl)c1ccccc1
InChIInChI=1S/C16H15ClO2/c17-12-15-9-5-4-6-13(15)10-11-19-16(18)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyROPIKNICZPOGML-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-(chloromethyl)phenyl]ethyl benzoate

2-[2-(chloromethyl)phenyl]ethyl benzoate (PubChem CID 2794926) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[2-(chloromethyl)phenyl]ethyl benzoate.

Molecular Properties

Compound Name2-[2-(chloromethyl)phenyl]ethyl benzoate
PubChem CID2794926
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-[2-(chloromethyl)phenyl]ethyl benzoate
SMILESO=C(OCCc1ccccc1CCl)c1ccccc1
InChIInChI=1S/C16H15ClO2/c17-12-15-9-5-4-6-13(15)10-11-19-16(18)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyROPIKNICZPOGML-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-(aminomethoxy)ethyl benzoate
CID 89228347
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
azane;2-methoxyethyl benzoate
CID 174560204
12-chlorododecyl benzoate
CID 89400525
2-cyanatoethyl benzoate
CID 126625512
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
3-benzoyloxypropanoic acid
CID 21263483
2-benzoyloxyethyl 3,5-diaminobenzoate
CID 21249778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)phenyl]ethyl benzoate?
The IUPAC name of 2-[2-(chloromethyl)phenyl]ethyl benzoate (CID 2794926) is 2-[2-(chloromethyl)phenyl]ethyl benzoate.
What is the SMILES notation for 2-[2-(chloromethyl)phenyl]ethyl benzoate?
The canonical SMILES for 2-[2-(chloromethyl)phenyl]ethyl benzoate is O=C(OCCc1ccccc1CCl)c1ccccc1.
What is the InChIKey of 2-[2-(chloromethyl)phenyl]ethyl benzoate?
The InChIKey is ROPIKNICZPOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-12-15-9-5-4-6-13(15)10-11-19-16(18)14-7-2-1-3-8-14/h1-9H,10-12H2.
What are the key properties of 2-[2-(chloromethyl)phenyl]ethyl benzoate?
2-[2-(chloromethyl)phenyl]ethyl benzoate has a molecular weight of 274.75 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)phenyl]ethyl benzoate is sourced from PubChem (CID 2794926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).