1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol

C17H24O — CID 114601509

IUPAC1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C17H24O/c1-16(2)9-10-17(18,12-16)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,18H,3,5-6,9-10,12H2,1-2H3
InChIKeyOHSHCECWRPBMHX-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.35
Rot. Bonds2

About 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol

1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 114601509) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol
PubChem CID114601509
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C17H24O/c1-16(2)9-10-17(18,12-16)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,18H,3,5-6,9-10,12H2,1-2H3
InChIKeyOHSHCECWRPBMHX-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117363257
8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114601416
1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 114601365
3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
CID 114601502
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
CID 114601384
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114606402
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580
4-(3-cyclobutylphenyl)-4-fluoroazepane
CID 114607413

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol (CID 114601509) is 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)(c2cccc(C3CCC3)c2)C1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is OHSHCECWRPBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)9-10-17(18,12-16)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,18H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol?
1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 114601509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).