2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol

C22H34O — CID 139648649

IUPAC2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
SMILESCCC1CCC(c2ccc(C3CCC(CC)C(O)C3)cc2)CC1
InChIInChI=1S/C22H34O/c1-3-16-5-7-18(8-6-16)19-10-12-20(13-11-19)21-14-9-17(4-2)22(23)15-21/h10-13,16-18,21-23H,3-9,14-15H2,1-2H3
InChIKeyCAELSXGYMQUELG-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.03
Rot. Bonds4

About 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol

2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol (PubChem CID 139648649) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
PubChem CID139648649
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
SMILESCCC1CCC(c2ccc(C3CCC(CC)C(O)C3)cc2)CC1
InChIInChI=1S/C22H34O/c1-3-16-5-7-18(8-6-16)19-10-12-20(13-11-19)21-14-9-17(4-2)22(23)15-21/h10-13,16-18,21-23H,3-9,14-15H2,1-2H3
InChIKeyCAELSXGYMQUELG-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
CID 70181620
4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol
CID 22384398
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 175685460
2-bromo-1-[4-(4-ethylcyclohexyl)phenyl]ethanone
CID 102133235
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol (CID 139648649) is 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol is CCC1CCC(c2ccc(C3CCC(CC)C(O)C3)cc2)CC1.
What is the InChIKey of 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol?
The InChIKey is CAELSXGYMQUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-3-16-5-7-18(8-6-16)19-10-12-20(13-11-19)21-14-9-17(4-2)22(23)15-21/h10-13,16-18,21-23H,3-9,14-15H2,1-2H3.
What are the key properties of 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol?
2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol has a molecular weight of 314.51 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 139648649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).