5-[(2R)-azetidin-2-yl]benzene-1,3-diol

C9H11NO2 — CID 130707048

IUPAC5-[(2R)-azetidin-2-yl]benzene-1,3-diol
SMILESOc1cc(O)cc([C@H]2CCN2)c1
InChIInChI=1S/C9H11NO2/c11-7-3-6(4-8(12)5-7)9-1-2-10-9/h3-5,9-12H,1-2H2/t9-/m1/s1
InChIKeyMGKODYMPGUPGDS-SECBINFHSA-N
MW165.19 g/mol
LogP1.13
Rot. Bonds1

About 5-[(2R)-azetidin-2-yl]benzene-1,3-diol

5-[(2R)-azetidin-2-yl]benzene-1,3-diol (PubChem CID 130707048) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]benzene-1,3-diol
PubChem CID130707048
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-[(2R)-azetidin-2-yl]benzene-1,3-diol
SMILESOc1cc(O)cc([C@H]2CCN2)c1
InChIInChI=1S/C9H11NO2/c11-7-3-6(4-8(12)5-7)9-1-2-10-9/h3-5,9-12H,1-2H2/t9-/m1/s1
InChIKeyMGKODYMPGUPGDS-SECBINFHSA-N
XLogP1.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-azetidin-2-yl]-2,6-ditert-butylphenol
CID 171196611
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
4-[(2S)-azetidin-2-yl]-2-iodophenol
CID 131093633
5-[(2R)-azetidin-2-yl]-3-nitrobenzene-1,2-diol
CID 131543750
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2S)-2-(3-bromo-5-fluorophenyl)azetidine
CID 130705750
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
CID 171197416
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[(2R)-azetidin-2-yl]benzene-1,3-diol (CID 130707048) is 5-[(2R)-azetidin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]benzene-1,3-diol is Oc1cc(O)cc([C@H]2CCN2)c1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]benzene-1,3-diol?
The InChIKey is MGKODYMPGUPGDS-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO2/c11-7-3-6(4-8(12)5-7)9-1-2-10-9/h3-5,9-12H,1-2H2/t9-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]benzene-1,3-diol?
5-[(2R)-azetidin-2-yl]benzene-1,3-diol has a molecular weight of 165.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 130707048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).