2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene

C23H26F2O — CID 59130054

IUPAC2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene
SMILESCc1ccc(-c2ccc3c(c2)OC(F)(F)C(C2CCC(C)CC2)C3)cc1
InChIInChI=1S/C23H26F2O/c1-15-3-7-17(8-4-15)19-11-12-20-13-21(18-9-5-16(2)6-10-18)23(24,25)26-22(20)14-19/h3-4,7-8,11-12,14,16,18,21H,5-6,9-10,13H2,1-2H3
InChIKeyYOFDDUONGRCIQH-UHFFFAOYSA-N
MW356.46 g/mol
LogP6.63
Rot. Bonds2

About 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene

2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene (PubChem CID 59130054) has the molecular formula C23H26F2O and a molecular weight of 356.46 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene
PubChem CID59130054
Molecular FormulaC23H26F2O
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene
SMILESCc1ccc(-c2ccc3c(c2)OC(F)(F)C(C2CCC(C)CC2)C3)cc1
InChIInChI=1S/C23H26F2O/c1-15-3-7-17(8-4-15)19-11-12-20-13-21(18-9-5-16(2)6-10-18)23(24,25)26-22(20)14-19/h3-4,7-8,11-12,14,16,18,21H,5-6,9-10,13H2,1-2H3
InChIKeyYOFDDUONGRCIQH-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene 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-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene?
The IUPAC name of 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene (CID 59130054) is 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene.
What is the SMILES notation for 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene?
The canonical SMILES for 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene is Cc1ccc(-c2ccc3c(c2)OC(F)(F)C(C2CCC(C)CC2)C3)cc1.
What is the InChIKey of 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene?
The InChIKey is YOFDDUONGRCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2O/c1-15-3-7-17(8-4-15)19-11-12-20-13-21(18-9-5-16(2)6-10-18)23(24,25)26-22(20)14-19/h3-4,7-8,11-12,14,16,18,21H,5-6,9-10,13H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene?
2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene has a molecular weight of 356.46 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene is sourced from PubChem (CID 59130054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).