methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate

C17H15ClO2 — CID 134980752

IUPACmethyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C17H15ClO2/c1-20-17(19)15(11-13-5-3-2-4-6-13)12-14-7-9-16(18)10-8-14/h2-10,12H,11H2,1H3/b15-12-
InChIKeyXOHTUYJEXCQSQA-QINSGFPZSA-N
MW286.76 g/mol
LogP4.14
Rot. Bonds4

About methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate

methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 134980752) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate
PubChem CID134980752
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Namemethyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C17H15ClO2/c1-20-17(19)15(11-13-5-3-2-4-6-13)12-14-7-9-16(18)10-8-14/h2-10,12H,11H2,1H3/b15-12-
InChIKeyXOHTUYJEXCQSQA-QINSGFPZSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.14
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

methyl (E)-2-[(4-fluorophenyl)methyl]-3-phenylprop-2-enoate
CID 11651931
methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate
CID 24874490
3-[(4-chlorophenyl)methyl]-4-phenylbut-3-en-2-one
CID 150479979
3-benzyl-4-methoxy-4-oxobut-2-enoic acid
CID 54199349
ethyl (E)-2-benzyl-3-(4-methylphenyl)prop-2-enoate
CID 15851794
methyl (E)-2-[(3-nitrophenyl)methyl]-3-phenylprop-2-enoate
CID 24767611
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
dimethyl 2-benzylidenebutanedioate
CID 4688794
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate
CID 5476455
methyl (E)-2-benzyl-3-[2-(diazomethyl)phenyl]prop-2-enoate
CID 138982955
2-benzyl-3-(4-chlorophenyl)prop-2-enal
CID 134235556

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate (CID 134980752) is methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate is COC(=O)/C(=C\c1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is XOHTUYJEXCQSQA-QINSGFPZSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-20-17(19)15(11-13-5-3-2-4-6-13)12-14-7-9-16(18)10-8-14/h2-10,12H,11H2,1H3/b15-12-.
What are the key properties of methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate?
methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 286.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 134980752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).