3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol

C16H24O — CID 80699700

IUPAC3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
SMILESCC(C)c1ccc(C2(O)CCC(C)(C)C2)cc1
InChIInChI=1S/C16H24O/c1-12(2)13-5-7-14(8-6-13)16(17)10-9-15(3,4)11-16/h5-8,12,17H,9-11H2,1-4H3
InChIKeyJWBVVOVANVSUNS-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.21
Rot. Bonds2

About 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol

3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol (PubChem CID 80699700) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
PubChem CID80699700
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
SMILESCC(C)c1ccc(C2(O)CCC(C)(C)C2)cc1
InChIInChI=1S/C16H24O/c1-12(2)13-5-7-14(8-6-13)16(17)10-9-15(3,4)11-16/h5-8,12,17H,9-11H2,1-4H3
InChIKeyJWBVVOVANVSUNS-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-propan-2-ylphenyl)oxepan-4-ol
CID 65081084
5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol
CID 79949213
3,3,5,5-tetramethyl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 103961176
[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanol
CID 116842604
3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 80705541
1-[4-(1-hydroxy-3,3-dimethylcyclohexyl)phenyl]ethanone
CID 22390427
2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 83712978
1-[4-(dimethoxymethyl)phenyl]cyclopropan-1-ol
CID 84780194
2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-ol
CID 79332541
4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
CID 86786670
[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine
CID 83705516
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol (CID 80699700) is 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol is CC(C)c1ccc(C2(O)CCC(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
The InChIKey is JWBVVOVANVSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)13-5-7-14(8-6-13)16(17)10-9-15(3,4)11-16/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol?
3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 80699700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).