2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene

C23H26O — CID 158010742

IUPAC2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene
SMILESC=CC1(C)CC(C=C)(c2ccc(C)cc2C)Oc2cc(C)ccc21
InChIInChI=1S/C23H26O/c1-7-22(6)15-23(8-2,19-11-9-16(3)13-18(19)5)24-21-14-17(4)10-12-20(21)22/h7-14H,1-2,15H2,3-6H3
InChIKeyNQKLQEHLPQVJIX-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.92
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene

2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene (PubChem CID 158010742) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene
PubChem CID158010742
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene
SMILESC=CC1(C)CC(C=C)(c2ccc(C)cc2C)Oc2cc(C)ccc21
InChIInChI=1S/C23H26O/c1-7-22(6)15-23(8-2,19-11-9-16(3)13-18(19)5)24-21-14-17(4)10-12-20(21)22/h7-14H,1-2,15H2,3-6H3
InChIKeyNQKLQEHLPQVJIX-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene?
The IUPAC name of 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene (CID 158010742) is 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene is C=CC1(C)CC(C=C)(c2ccc(C)cc2C)Oc2cc(C)ccc21.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene?
The InChIKey is NQKLQEHLPQVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-7-22(6)15-23(8-2,19-11-9-16(3)13-18(19)5)24-21-14-17(4)10-12-20(21)22/h7-14H,1-2,15H2,3-6H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene?
2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene has a molecular weight of 318.46 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene is sourced from PubChem (CID 158010742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).