4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol

C22H34O — CID 141296456

IUPAC4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
SMILESCCCCC1CCC(C2CCC(O)(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H34O/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(23,17-15-20)21-8-5-4-6-9-21/h4-6,8-9,18-20,23H,2-3,7,10-17H2,1H3
InChIKeyFBNFVBFOAXNBBY-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.06
Rot. Bonds5

About 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol

4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol (PubChem CID 141296456) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
PubChem CID141296456
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
SMILESCCCCC1CCC(C2CCC(O)(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H34O/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(23,17-15-20)21-8-5-4-6-9-21/h4-6,8-9,18-20,23H,2-3,7,10-17H2,1H3
InChIKeyFBNFVBFOAXNBBY-UHFFFAOYSA-N
XLogP6.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139782194
3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene
CID 67569252
4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol
CID 23169438
4-(4-pentylcyclohexyl)-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 57164054
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
1-(3-methylphenyl)-4-propylcyclohexan-1-ol
CID 60794525
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
3,11-bis(4-butylcyclohexyl)-14,14-dichlorodispiro[5.1.58.16]tetradecan-7-one
CID 18633481
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol?
The IUPAC name of 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol (CID 141296456) is 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol is CCCCC1CCC(C2CCC(O)(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol?
The InChIKey is FBNFVBFOAXNBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(23,17-15-20)21-8-5-4-6-9-21/h4-6,8-9,18-20,23H,2-3,7,10-17H2,1H3.
What are the key properties of 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol?
4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol has a molecular weight of 314.51 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 141296456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).