1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene

C30H42O — CID 19700194

IUPAC1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
SMILESCCCC1CCC(c2ccc(Oc3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42O/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)31-30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3
InChIKeyWJRXEUJFJSLUJJ-UHFFFAOYSA-N
MW418.67 g/mol
LogP9.63
Rot. Bonds8

About 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene

1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene (PubChem CID 19700194) has the molecular formula C30H42O and a molecular weight of 418.67 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
PubChem CID19700194
Molecular FormulaC30H42O
Molecular Weight418.67 g/mol
Exact Mass418.32
IUPAC Name1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
SMILESCCCC1CCC(c2ccc(Oc3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42O/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)31-30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3
InChIKeyWJRXEUJFJSLUJJ-UHFFFAOYSA-N
XLogP9.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
(4-propylcyclohexyl)benzene
CID 155887669
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
CID 160756551
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
CID 123271377

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
The IUPAC name of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene (CID 19700194) is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene is CCCC1CCC(c2ccc(Oc3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
The InChIKey is WJRXEUJFJSLUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)31-30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3.
What are the key properties of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene?
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene has a molecular weight of 418.67 g/mol, XLogP of 9.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene is sourced from PubChem (CID 19700194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).