2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol

C17H24O — CID 106663667

IUPAC2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)C1CC1c1ccccc1
InChIInChI=1S/C17H24O/c1-12-10-16(2,3)11-17(12,18)15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKeyZTRRZQSWGGLQHA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.98
Rot. Bonds2

About 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol

2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol (PubChem CID 106663667) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
PubChem CID106663667
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)C1CC1c1ccccc1
InChIInChI=1S/C17H24O/c1-12-10-16(2,3)11-17(12,18)15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKeyZTRRZQSWGGLQHA-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
CID 116516687
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene
CID 116540499
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
CID 107089509
(2R,6S,7R)-4-(dimethylamino)-2-methyl-6,7-diphenylbicyclo[2.2.2]octan-2-ol
CID 11992127
dimethyl (1S,5S,6R)-6-phenyl-1-[(1R,2R)-2-phenylcyclopropyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 135007316
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493
(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 171904735
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
CID 116518517

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol (CID 106663667) is 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol is CC1CC(C)(C)CC1(O)C1CC1c1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol?
The InChIKey is ZTRRZQSWGGLQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-12-10-16(2,3)11-17(12,18)15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol?
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol is sourced from PubChem (CID 106663667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).