2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol

C10H12ClNO — CID 55265546

IUPAC2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
SMILESCc1cc(Cl)c(O)c([C@@H]2CCN2)c1
InChIInChI=1S/C10H12ClNO/c1-6-4-7(9-2-3-12-9)10(13)8(11)5-6/h4-5,9,12-13H,2-3H2,1H3/t9-/m0/s1
InChIKeyWITMYEIOEGENDN-VIFPVBQESA-N
MW197.66 g/mol
LogP2.39
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol

2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol (PubChem CID 55265546) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
PubChem CID55265546
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
SMILESCc1cc(Cl)c(O)c([C@@H]2CCN2)c1
InChIInChI=1S/C10H12ClNO/c1-6-4-7(9-2-3-12-9)10(13)8(11)5-6/h4-5,9,12-13H,2-3H2,1H3/t9-/m0/s1
InChIKeyWITMYEIOEGENDN-VIFPVBQESA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
CID 130673866
2-[(2S)-azetidin-2-yl]-4,6-dichlorophenol;hydrochloride
CID 171196609
3-[(2R)-azetidin-2-yl]-2-hydroxy-5-methylbenzoic acid
CID 171259780
(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
6-[(2S)-azetidin-2-yl]-3-chloro-2-methylphenol
CID 131008087
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
CID 131447438
2-[(2S)-azetidin-2-yl]-4-chloro-6-(hydroxymethyl)phenol
CID 130657242
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
6-[(2S)-aziridin-2-yl]-4-chloro-2,3-dimethylphenol
CID 55263388

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol (CID 55265546) is 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol is Cc1cc(Cl)c(O)c([C@@H]2CCN2)c1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol?
The InChIKey is WITMYEIOEGENDN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-4-7(9-2-3-12-9)10(13)8(11)5-6/h4-5,9,12-13H,2-3H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol?
2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol has a molecular weight of 197.66 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol is sourced from PubChem (CID 55265546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).