(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

C16H12Cl2O2 — CID 19172642

IUPAC(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESCc1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C16H12Cl2O2/c1-11-10-13(17)7-8-15(11)20-16(19)9-6-12-4-2-3-5-14(12)18/h2-10H,1H3/b9-6+
InChIKeyUSNJGWHXERYZQW-RMKNXTFCSA-N
MW307.18 g/mol
LogP4.92
Rot. Bonds3

About (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 19172642) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID19172642
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESCc1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C16H12Cl2O2/c1-11-10-13(17)7-8-15(11)20-16(19)9-6-12-4-2-3-5-14(12)18/h2-10H,1H3/b9-6+
InChIKeyUSNJGWHXERYZQW-RMKNXTFCSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2445358
(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
CID 19167656
(4-chloro-2-methylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 720791
(2,6-dimethylphenyl) 3-(2,4-dichlorophenyl)prop-2-enoate
CID 723876
(4-chloro-2-methylphenyl) 3-(4-ethoxyphenyl)prop-2-enoate
CID 731144
dimethyl 5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 8018296
[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444606
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate (CID 19172642) is (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate is Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is USNJGWHXERYZQW-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-11-10-13(17)7-8-15(11)20-16(19)9-6-12-4-2-3-5-14(12)18/h2-10H,1H3/b9-6+.
What are the key properties of (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate?
(4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 307.18 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 19172642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).