[(2-chlorophenyl)-phenylmethyl] prop-2-enoate

C16H13ClO2 — CID 150814441

IUPAC[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
SMILESC=CC(=O)OC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H13ClO2/c1-2-15(18)19-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h2-11,16H,1H2
InChIKeyKIOLYRKRMSSYLX-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.16
Rot. Bonds4

About [(2-chlorophenyl)-phenylmethyl] prop-2-enoate

[(2-chlorophenyl)-phenylmethyl] prop-2-enoate (PubChem CID 150814441) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is [(2-chlorophenyl)-phenylmethyl] prop-2-enoate.

Molecular Properties

Compound Name[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
PubChem CID150814441
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
SMILESC=CC(=O)OC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H13ClO2/c1-2-15(18)19-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h2-11,16H,1H2
InChIKeyKIOLYRKRMSSYLX-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenylethyl prop-2-enoate
CID 175321764
dibenzhydryl (E)-but-2-enedioate
CID 19073748
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
CID 134482693
[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate
CID 90102103
2-[bis(2-chlorophenyl)methoxy]acetic acid
CID 57126454
[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
CID 159520635
(2-ethenoxy-1-phenylethyl) prop-2-enoate
CID 150761582
[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 102381389
CID 171535342
CID 171535342
chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
CID 158829603
(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
CID 153394937

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-phenylmethyl] prop-2-enoate?
The IUPAC name of [(2-chlorophenyl)-phenylmethyl] prop-2-enoate (CID 150814441) is [(2-chlorophenyl)-phenylmethyl] prop-2-enoate.
What is the SMILES notation for [(2-chlorophenyl)-phenylmethyl] prop-2-enoate?
The canonical SMILES for [(2-chlorophenyl)-phenylmethyl] prop-2-enoate is C=CC(=O)OC(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-phenylmethyl] prop-2-enoate?
The InChIKey is KIOLYRKRMSSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-2-15(18)19-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h2-11,16H,1H2.
What are the key properties of [(2-chlorophenyl)-phenylmethyl] prop-2-enoate?
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate has a molecular weight of 272.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-phenylmethyl] prop-2-enoate is sourced from PubChem (CID 150814441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).