(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol

C15H21NO — CID 175542563

IUPAC(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCCC1N1CC(c2ccccc2)C1
InChIInChI=1S/C15H21NO/c17-15-9-5-4-8-14(15)16-10-13(11-16)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2/t14?,15-/m0/s1
InChIKeyMUSHDHCCBAVAMN-LOACHALJSA-N
MW231.34 g/mol
LogP2.39
Rot. Bonds2

About (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol

(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol (PubChem CID 175542563) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
PubChem CID175542563
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCCC1N1CC(c2ccccc2)C1
InChIInChI=1S/C15H21NO/c17-15-9-5-4-8-14(15)16-10-13(11-16)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2/t14?,15-/m0/s1
InChIKeyMUSHDHCCBAVAMN-LOACHALJSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
CID 79677158
trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
CID 102738931
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol
CID 104960111
cyclopentylbenzene;iron
CID 158512704
2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
CID 62133199
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
CID 73350360

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol (CID 175542563) is (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol is O[C@H]1CCCCC1N1CC(c2ccccc2)C1.
What is the InChIKey of (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol?
The InChIKey is MUSHDHCCBAVAMN-LOACHALJSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-9-5-4-8-14(15)16-10-13(11-16)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2/t14?,15-/m0/s1.
What are the key properties of (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol?
(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 175542563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).