1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol

C20H30O — CID 63861267

IUPAC1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol
SMILESCCC1CCCCC1C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30O/c1-2-16-8-6-7-11-19(16)20(21)14-12-18(13-15-20)17-9-4-3-5-10-17/h3-5,9-10,16,18-19,21H,2,6-8,11-15H2,1H3
InChIKeyBTVWJJWMIXBHLC-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.29
Rot. Bonds3

About 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol

1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol (PubChem CID 63861267) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol
PubChem CID63861267
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol
SMILESCCC1CCCCC1C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30O/c1-2-16-8-6-7-11-19(16)20(21)14-12-18(13-15-20)17-9-4-3-5-10-17/h3-5,9-10,16,18-19,21H,2,6-8,11-15H2,1H3
InChIKeyBTVWJJWMIXBHLC-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol (CID 63861267) is 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol is CCC1CCCCC1C1(O)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol?
The InChIKey is BTVWJJWMIXBHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-2-16-8-6-7-11-19(16)20(21)14-12-18(13-15-20)17-9-4-3-5-10-17/h3-5,9-10,16,18-19,21H,2,6-8,11-15H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol?
1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 63861267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).