[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate

C18H17ClO2 — CID 90102103

IUPAC[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1cccc(C)c1)c1ccccc1Cl
InChIInChI=1S/C18H17ClO2/c1-12(2)18(20)21-17(14-8-6-7-13(3)11-14)15-9-4-5-10-16(15)19/h4-11,17H,1H2,2-3H3
InChIKeyPEBYTPYDQRYWQT-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.86
Rot. Bonds4

About [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate

[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate (PubChem CID 90102103) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate
PubChem CID90102103
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1cccc(C)c1)c1ccccc1Cl
InChIInChI=1S/C18H17ClO2/c1-12(2)18(20)21-17(14-8-6-7-13(3)11-14)15-9-4-5-10-16(15)19/h4-11,17H,1H2,2-3H3
InChIKeyPEBYTPYDQRYWQT-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.86
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

[(3-chlorophenyl)-(4-chlorophenyl)methyl] 2-methylprop-2-enoate
CID 89393374
[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate
CID 89393349
bis[3-(trifluoromethyl)phenyl]methyl 2-methylprop-2-enoate
CID 89393334
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
CID 150814441
[2-methylidene-1-(3-methylphenyl)-3-oxobutyl] acetate
CID 102410139
[(3-fluoro-4-methoxyphenyl)-phenylmethyl] 2-methylprop-2-enoate
CID 122698695
[2-hydroxy-1-(3-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 70567032
(1-chloro-1-phenylpropan-2-yl) 2-methylprop-2-enoate
CID 174771336
ethyl 2-[acetyloxy-(3-methylphenyl)methyl]prop-2-enoate
CID 102172343
N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 4274954
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
[(1R)-1-(2-chlorophenyl)ethyl] N-(3-methylbuta-1,3-dien-2-yl)carbamate;ethane
CID 144534242

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate?
The IUPAC name of [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate (CID 90102103) is [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1cccc(C)c1)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate?
The InChIKey is PEBYTPYDQRYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-12(2)18(20)21-17(14-8-6-7-13(3)11-14)15-9-4-5-10-16(15)19/h4-11,17H,1H2,2-3H3.
What are the key properties of [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate?
[(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate has a molecular weight of 300.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-(3-methylphenyl)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 90102103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).