(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol

C16H24O — CID 68614036

IUPAC(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol
SMILESCC(C)[C@H](O)C1(C(C)c2ccccc2)CCC1
InChIInChI=1S/C16H24O/c1-12(2)15(17)16(10-7-11-16)13(3)14-8-5-4-6-9-14/h4-6,8-9,12-13,15,17H,7,10-11H2,1-3H3/t13?,15-/m0/s1
InChIKeyRIKYUIIDLAWAKI-WUJWULDRSA-N
MW232.37 g/mol
LogP3.98
Rot. Bonds4

About (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol

(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol (PubChem CID 68614036) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol
PubChem CID68614036
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol
SMILESCC(C)[C@H](O)C1(C(C)c2ccccc2)CCC1
InChIInChI=1S/C16H24O/c1-12(2)15(17)16(10-7-11-16)13(3)14-8-5-4-6-9-14/h4-6,8-9,12-13,15,17H,7,10-11H2,1-3H3/t13?,15-/m0/s1
InChIKeyRIKYUIIDLAWAKI-WUJWULDRSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methylcyclohexyl)ethylbenzene
CID 139768950
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
(1S)-1-phenylethanol
CID 157125626
2-amino-1-(1-phenylethyl)cyclopentan-1-ol
CID 67750994
azane;(1R)-1-phenylethanol
CID 126646564
cumene;hydrogen peroxide
CID 21225480
2-acetyl-2-(1-phenylethyl)cyclohexan-1-one
CID 135038981
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
[1,2-dimethyl-2-(1-phenylethyl)cyclopropyl]methanol
CID 78427689
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
CID 69235710
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
4-methyl-2,3-diphenylpentanoic acid
CID 13280236

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol?
The IUPAC name of (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol (CID 68614036) is (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol.
What is the SMILES notation for (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol?
The canonical SMILES for (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol is CC(C)[C@H](O)C1(C(C)c2ccccc2)CCC1.
What is the InChIKey of (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol?
The InChIKey is RIKYUIIDLAWAKI-WUJWULDRSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)15(17)16(10-7-11-16)13(3)14-8-5-4-6-9-14/h4-6,8-9,12-13,15,17H,7,10-11H2,1-3H3/t13?,15-/m0/s1.
What are the key properties of (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol?
(1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[1-(1-phenylethyl)cyclobutyl]propan-1-ol is sourced from PubChem (CID 68614036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).