1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene

C33H48O — CID 56626667

IUPAC1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene
SMILESCCCOc1c(-c2ccccc2)ccc(C2CCC(CCC)CC2)c1C1CCC(CCC)CC1
InChIInChI=1S/C33H48O/c1-4-10-25-14-18-28(19-15-25)30-22-23-31(27-12-8-7-9-13-27)33(34-24-6-3)32(30)29-20-16-26(11-5-2)17-21-29/h7-9,12-13,22-23,25-26,28-29H,4-6,10-11,14-21,24H2,1-3H3
InChIKeyJQKUTUMZHDOVRY-UHFFFAOYSA-N
MW460.75 g/mol
LogP10.29
Rot. Bonds10

About 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene

1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene (PubChem CID 56626667) has the molecular formula C33H48O and a molecular weight of 460.75 g/mol. Its IUPAC name is 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene
PubChem CID56626667
Molecular FormulaC33H48O
Molecular Weight460.75 g/mol
Exact Mass460.37
IUPAC Name1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene
SMILESCCCOc1c(-c2ccccc2)ccc(C2CCC(CCC)CC2)c1C1CCC(CCC)CC1
InChIInChI=1S/C33H48O/c1-4-10-25-14-18-28(19-15-25)30-22-23-31(27-12-8-7-9-13-27)33(34-24-6-3)32(30)29-20-16-26(11-5-2)17-21-29/h7-9,12-13,22-23,25-26,28-29H,4-6,10-11,14-21,24H2,1-3H3
InChIKeyJQKUTUMZHDOVRY-UHFFFAOYSA-N
XLogP10.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
CID 139710983
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene
CID 173141669
(4-propylcyclohexyl)benzene
CID 155887669
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738142
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738139
1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139930962
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358699

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene?
The IUPAC name of 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene (CID 56626667) is 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene is CCCOc1c(-c2ccccc2)ccc(C2CCC(CCC)CC2)c1C1CCC(CCC)CC1.
What is the InChIKey of 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene?
The InChIKey is JQKUTUMZHDOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O/c1-4-10-25-14-18-28(19-15-25)30-22-23-31(27-12-8-7-9-13-27)33(34-24-6-3)32(30)29-20-16-26(11-5-2)17-21-29/h7-9,12-13,22-23,25-26,28-29H,4-6,10-11,14-21,24H2,1-3H3.
What are the key properties of 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene?
1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene has a molecular weight of 460.75 g/mol, XLogP of 10.29, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene is sourced from PubChem (CID 56626667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).