(3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one

C24H19ClO2 — CID 135053126

IUPAC(3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one
SMILESCc1ccc(/C=C2/C(=O)c3ccc(C)cc3OC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClO2/c1-15-3-6-17(7-4-15)14-21-23(26)20-12-5-16(2)13-22(20)27-24(21)18-8-10-19(25)11-9-18/h3-14,24H,1-2H3/b21-14-
InChIKeySJOHMKCAYKJPRP-STZFKDTASA-N
MW374.87 g/mol
LogP6.36
Rot. Bonds2

About (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one

(3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one (PubChem CID 135053126) has the molecular formula C24H19ClO2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one
PubChem CID135053126
Molecular FormulaC24H19ClO2
Molecular Weight374.87 g/mol
Exact Mass374.11
IUPAC Name(3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one
SMILESCc1ccc(/C=C2/C(=O)c3ccc(C)cc3OC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClO2/c1-15-3-6-17(7-4-15)14-21-23(26)20-12-5-16(2)13-22(20)27-24(21)18-8-10-19(25)11-9-18/h3-14,24H,1-2H3/b21-14-
InChIKeySJOHMKCAYKJPRP-STZFKDTASA-N
XLogP6.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.36
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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Frequently Asked Questions

What is the IUPAC name of (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one?
The IUPAC name of (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one (CID 135053126) is (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one is Cc1ccc(/C=C2/C(=O)c3ccc(C)cc3OC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one?
The InChIKey is SJOHMKCAYKJPRP-STZFKDTASA-N. The full InChI is InChI=1S/C24H19ClO2/c1-15-3-6-17(7-4-15)14-21-23(26)20-12-5-16(2)13-22(20)27-24(21)18-8-10-19(25)11-9-18/h3-14,24H,1-2H3/b21-14-.
What are the key properties of (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one?
(3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one has a molecular weight of 374.87 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(4-chlorophenyl)-7-methyl-3-[(4-methylphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 135053126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).