3-hexyl-1-phenylcyclobutan-1-ol

C16H24O — CID 10585684

IUPAC3-hexyl-1-phenylcyclobutan-1-ol
SMILESCCCCCCC1CC(O)(c2ccccc2)C1
InChIInChI=1S/C16H24O/c1-2-3-4-6-9-14-12-16(17,13-14)15-10-7-5-8-11-15/h5,7-8,10-11,14,17H,2-4,6,9,12-13H2,1H3
InChIKeyCYXUSCMSJUEYIE-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.25
Rot. Bonds6

About 3-hexyl-1-phenylcyclobutan-1-ol

3-hexyl-1-phenylcyclobutan-1-ol (PubChem CID 10585684) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-hexyl-1-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name3-hexyl-1-phenylcyclobutan-1-ol
PubChem CID10585684
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3-hexyl-1-phenylcyclobutan-1-ol
SMILESCCCCCCC1CC(O)(c2ccccc2)C1
InChIInChI=1S/C16H24O/c1-2-3-4-6-9-14-12-16(17,13-14)15-10-7-5-8-11-15/h5,7-8,10-11,14,17H,2-4,6,9,12-13H2,1H3
InChIKeyCYXUSCMSJUEYIE-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456
2-pentadecyl-1-phenylcyclobutan-1-ol
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CID 58679549
5-phenyl-2-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 123782882
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957205
(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
CID 51411847
(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 11747856
5-octyl-2,3,3-triphenyl-1,2-oxazolidine
CID 15851551
[1-(2-heptyl-1-phenylsulfanylcyclopropyl)cyclopropyl]sulfanylbenzene
CID 102121474
(4-hexylcyclohexyl)methoxybenzene
CID 57019623

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-1-phenylcyclobutan-1-ol?
The IUPAC name of 3-hexyl-1-phenylcyclobutan-1-ol (CID 10585684) is 3-hexyl-1-phenylcyclobutan-1-ol.
What is the SMILES notation for 3-hexyl-1-phenylcyclobutan-1-ol?
The canonical SMILES for 3-hexyl-1-phenylcyclobutan-1-ol is CCCCCCC1CC(O)(c2ccccc2)C1.
What is the InChIKey of 3-hexyl-1-phenylcyclobutan-1-ol?
The InChIKey is CYXUSCMSJUEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-3-4-6-9-14-12-16(17,13-14)15-10-7-5-8-11-15/h5,7-8,10-11,14,17H,2-4,6,9,12-13H2,1H3.
What are the key properties of 3-hexyl-1-phenylcyclobutan-1-ol?
3-hexyl-1-phenylcyclobutan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1-phenylcyclobutan-1-ol is sourced from PubChem (CID 10585684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).