[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate

C18H17ClO3 — CID 89393349

IUPAC[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(Cl)cc1)c1cccc(OC)c1
InChIInChI=1S/C18H17ClO3/c1-12(2)18(20)22-17(13-7-9-15(19)10-8-13)14-5-4-6-16(11-14)21-3/h4-11,17H,1H2,2-3H3
InChIKeyOXIZTXIEMPFRKC-UHFFFAOYSA-N
MW316.78 g/mol
LogP4.56
Rot. Bonds5

About [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate

[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate (PubChem CID 89393349) has the molecular formula C18H17ClO3 and a molecular weight of 316.78 g/mol. Its IUPAC name is [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate
PubChem CID89393349
Molecular FormulaC18H17ClO3
Molecular Weight316.78 g/mol
Exact Mass316.09
IUPAC Name[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(Cl)cc1)c1cccc(OC)c1
InChIInChI=1S/C18H17ClO3/c1-12(2)18(20)22-17(13-7-9-15(19)10-8-13)14-5-4-6-16(11-14)21-3/h4-11,17H,1H2,2-3H3
InChIKeyOXIZTXIEMPFRKC-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[(3-fluoro-4-methoxyphenyl)-phenylmethyl] 2-methylprop-2-enoate
CID 122698695
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
bis[3-(trifluoromethyl)phenyl]methyl 2-methylprop-2-enoate
CID 89393334
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79189676
(1-chloro-1-phenylpropan-2-yl) 2-methylprop-2-enoate
CID 174771336
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate?
The IUPAC name of [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate (CID 89393349) is [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccc(Cl)cc1)c1cccc(OC)c1.
What is the InChIKey of [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate?
The InChIKey is OXIZTXIEMPFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO3/c1-12(2)18(20)22-17(13-7-9-15(19)10-8-13)14-5-4-6-16(11-14)21-3/h4-11,17H,1H2,2-3H3.
What are the key properties of [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate?
[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate has a molecular weight of 316.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89393349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).