4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol

C26H42O2 — CID 70860397

IUPAC4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol
SMILESCCCC1CCC(C2CCC(c3ccc(OC(C)CC(C)O)cc3)CC2)CC1
InChIInChI=1S/C26H42O2/c1-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)28-20(3)18-19(2)27/h14-17,19-24,27H,4-13,18H2,1-3H3
InChIKeyALYDUOFCNAQDFM-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.11
Rot. Bonds8

About 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol

4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol (PubChem CID 70860397) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol.

Molecular Properties

Compound Name4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol
PubChem CID70860397
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol
SMILESCCCC1CCC(C2CCC(c3ccc(OC(C)CC(C)O)cc3)CC2)CC1
InChIInChI=1S/C26H42O2/c1-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)28-20(3)18-19(2)27/h14-17,19-24,27H,4-13,18H2,1-3H3
InChIKeyALYDUOFCNAQDFM-UHFFFAOYSA-N
XLogP7.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,4S)-4-methoxypentan-2-yl]oxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 170842328
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 154558214
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
[4-(4-propylcyclohexyl)phenyl] 4-(difluoromethoxy)benzoate
CID 14765981
[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 2,2-difluorocyclopropane-1-carboxylate
CID 101167002

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol?
The IUPAC name of 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol (CID 70860397) is 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol.
What is the SMILES notation for 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol?
The canonical SMILES for 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol is CCCC1CCC(C2CCC(c3ccc(OC(C)CC(C)O)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol?
The InChIKey is ALYDUOFCNAQDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)28-20(3)18-19(2)27/h14-17,19-24,27H,4-13,18H2,1-3H3.
What are the key properties of 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol?
4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol has a molecular weight of 386.62 g/mol, XLogP of 7.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol is sourced from PubChem (CID 70860397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).