2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene

C30H40F2O — CID 118967051

IUPAC2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
SMILESCCCc1ccc(CCC2CCC(C3CCC(c4ccc(OC)c(F)c4F)CC3)CC2)cc1
InChIInChI=1S/C30H40F2O/c1-3-4-21-5-7-22(8-6-21)9-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-20-28(33-2)30(32)29(27)31/h5-8,19-20,23-26H,3-4,9-18H2,1-2H3
InChIKeyGFPOLZVYEARONT-UHFFFAOYSA-N
MW454.65 g/mol
LogP8.64
Rot. Bonds8

About 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene

2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 118967051) has the molecular formula C30H40F2O and a molecular weight of 454.65 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
PubChem CID118967051
Molecular FormulaC30H40F2O
Molecular Weight454.65 g/mol
Exact Mass454.30
IUPAC Name2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
SMILESCCCc1ccc(CCC2CCC(C3CCC(c4ccc(OC)c(F)c4F)CC3)CC2)cc1
InChIInChI=1S/C30H40F2O/c1-3-4-21-5-7-22(8-6-21)9-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-20-28(33-2)30(32)29(27)31/h5-8,19-20,23-26H,3-4,9-18H2,1-2H3
InChIKeyGFPOLZVYEARONT-UHFFFAOYSA-N
XLogP8.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77417322
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118967004
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837372
2-(2,3-difluoro-4-methoxyphenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837056
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868521
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417264
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]cyclohexyl]benzene
CID 90161651
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118966982
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene (CID 118967051) is 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene is CCCc1ccc(CCC2CCC(C3CCC(c4ccc(OC)c(F)c4F)CC3)CC2)cc1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is GFPOLZVYEARONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F2O/c1-3-4-21-5-7-22(8-6-21)9-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-20-28(33-2)30(32)29(27)31/h5-8,19-20,23-26H,3-4,9-18H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene?
2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 454.65 g/mol, XLogP of 8.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 118967051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).