2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene

C32H38F2O — CID 59931486

IUPAC2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene
SMILESCc1cc(CCCOC2CCC(C)CC2)cc(C)c1-c1cc(C)c(-c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C32H38F2O/c1-20-8-11-28(12-9-20)35-14-6-7-25-15-21(2)32(22(3)16-25)27-17-23(4)31(24(5)18-27)26-10-13-29(33)30(34)19-26/h10,13,15-20,28H,6-9,11-12,14H2,1-5H3
InChIKeyFYWWXXBUQLIMCB-UHFFFAOYSA-N
MW476.65 g/mol
LogP9.06
Rot. Bonds7

About 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene

2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene (PubChem CID 59931486) has the molecular formula C32H38F2O and a molecular weight of 476.65 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene
PubChem CID59931486
Molecular FormulaC32H38F2O
Molecular Weight476.65 g/mol
Exact Mass476.29
IUPAC Name2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene
SMILESCc1cc(CCCOC2CCC(C)CC2)cc(C)c1-c1cc(C)c(-c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C32H38F2O/c1-20-8-11-28(12-9-20)35-14-6-7-25-15-21(2)32(22(3)16-25)27-17-23(4)31(24(5)18-27)26-10-13-29(33)30(34)19-26/h10,13,15-20,28H,6-9,11-12,14H2,1-5H3
InChIKeyFYWWXXBUQLIMCB-UHFFFAOYSA-N
XLogP9.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene 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-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene?
The IUPAC name of 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene (CID 59931486) is 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene is Cc1cc(CCCOC2CCC(C)CC2)cc(C)c1-c1cc(C)c(-c2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene?
The InChIKey is FYWWXXBUQLIMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2O/c1-20-8-11-28(12-9-20)35-14-6-7-25-15-21(2)32(22(3)16-25)27-17-23(4)31(24(5)18-27)26-10-13-29(33)30(34)19-26/h10,13,15-20,28H,6-9,11-12,14H2,1-5H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene?
2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene has a molecular weight of 476.65 g/mol, XLogP of 9.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene is sourced from PubChem (CID 59931486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).