5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol

C19H28O — CID 116516687

IUPAC5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(C2CC2c2ccccc2)C1
InChIInChI=1S/C19H28O/c1-13(2)17-10-9-14(3)12-19(17,20)18-11-16(18)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3
InChIKeyZVBQHZOWUIJZJG-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.61
Rot. Bonds3

About 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol

5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 116516687) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID116516687
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(C2CC2c2ccccc2)C1
InChIInChI=1S/C19H28O/c1-13(2)17-10-9-14(3)12-19(17,20)18-11-16(18)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3
InChIKeyZVBQHZOWUIJZJG-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114245728
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
CID 106663667
(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10925802
(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
(1R,2R,5S)-1-(6-bromo-2-pyridinyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 100993924
[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428170
1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114601039
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1S,2S,5R)-1-[2-(3-methoxyphenyl)ethynyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10850785
CID 11151972
CID 11151972
(1R,2S,5R)-1-(diphenylphosphanylmethyl)-5-methyl-2-propan-2-ylcyclohexane-1-thiol
CID 101260440

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol (CID 116516687) is 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(C2CC2c2ccccc2)C1.
What is the InChIKey of 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is ZVBQHZOWUIJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-13(2)17-10-9-14(3)12-19(17,20)18-11-16(18)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3.
What are the key properties of 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol?
5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 116516687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).