4-[(2S)-azetidin-2-yl]-2-iodophenol

C9H10INO — CID 131093633

IUPAC4-[(2S)-azetidin-2-yl]-2-iodophenol
SMILESOc1ccc([C@@H]2CCN2)cc1I
InChIInChI=1S/C9H10INO/c10-7-5-6(1-2-9(7)12)8-3-4-11-8/h1-2,5,8,11-12H,3-4H2/t8-/m0/s1
InChIKeyMAJLAYHNKFXXDY-QMMMGPOBSA-N
MW275.09 g/mol
LogP2.03
Rot. Bonds1

About 4-[(2S)-azetidin-2-yl]-2-iodophenol

4-[(2S)-azetidin-2-yl]-2-iodophenol (PubChem CID 131093633) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 4-[(2S)-azetidin-2-yl]-2-iodophenol.

Molecular Properties

Compound Name4-[(2S)-azetidin-2-yl]-2-iodophenol
PubChem CID131093633
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name4-[(2S)-azetidin-2-yl]-2-iodophenol
SMILESOc1ccc([C@@H]2CCN2)cc1I
InChIInChI=1S/C9H10INO/c10-7-5-6(1-2-9(7)12)8-3-4-11-8/h1-2,5,8,11-12H,3-4H2/t8-/m0/s1
InChIKeyMAJLAYHNKFXXDY-QMMMGPOBSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
(2S)-2-(3-bromo-4-iodophenyl)azetidine
CID 131098153
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
CID 171197416
5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
CID 130744353
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol
CID 130690217
4-[(2S)-azetidin-2-yl]-2-nitrophenol;hydrochloride
CID 171196666
(2R)-2-(3-ethyl-4-iodophenyl)azetidine
CID 130618165
5-[(2R)-azetidin-2-yl]benzene-1,3-diol
CID 130707048
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-azetidin-2-yl]-2-iodophenol?
The IUPAC name of 4-[(2S)-azetidin-2-yl]-2-iodophenol (CID 131093633) is 4-[(2S)-azetidin-2-yl]-2-iodophenol.
What is the SMILES notation for 4-[(2S)-azetidin-2-yl]-2-iodophenol?
The canonical SMILES for 4-[(2S)-azetidin-2-yl]-2-iodophenol is Oc1ccc([C@@H]2CCN2)cc1I.
What is the InChIKey of 4-[(2S)-azetidin-2-yl]-2-iodophenol?
The InChIKey is MAJLAYHNKFXXDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10INO/c10-7-5-6(1-2-9(7)12)8-3-4-11-8/h1-2,5,8,11-12H,3-4H2/t8-/m0/s1.
What are the key properties of 4-[(2S)-azetidin-2-yl]-2-iodophenol?
4-[(2S)-azetidin-2-yl]-2-iodophenol has a molecular weight of 275.09 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-azetidin-2-yl]-2-iodophenol is sourced from PubChem (CID 131093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).