4-[(2R)-azetidin-2-yl]-3-chlorophenol

C9H10ClNO — CID 130700334

IUPAC4-[(2R)-azetidin-2-yl]-3-chlorophenol
SMILESOc1ccc([C@H]2CCN2)c(Cl)c1
InChIInChI=1S/C9H10ClNO/c10-8-5-6(12)1-2-7(8)9-3-4-11-9/h1-2,5,9,11-12H,3-4H2/t9-/m1/s1
InChIKeyJDTUDMYWPWYXAQ-SECBINFHSA-N
MW183.64 g/mol
LogP2.08
Rot. Bonds1

About 4-[(2R)-azetidin-2-yl]-3-chlorophenol

4-[(2R)-azetidin-2-yl]-3-chlorophenol (PubChem CID 130700334) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-[(2R)-azetidin-2-yl]-3-chlorophenol.

Molecular Properties

Compound Name4-[(2R)-azetidin-2-yl]-3-chlorophenol
PubChem CID130700334
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name4-[(2R)-azetidin-2-yl]-3-chlorophenol
SMILESOc1ccc([C@H]2CCN2)c(Cl)c1
InChIInChI=1S/C9H10ClNO/c10-8-5-6(12)1-2-7(8)9-3-4-11-9/h1-2,5,9,11-12H,3-4H2/t9-/m1/s1
InChIKeyJDTUDMYWPWYXAQ-SECBINFHSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-azetidin-2-yl]-3-chlorophenol?
The IUPAC name of 4-[(2R)-azetidin-2-yl]-3-chlorophenol (CID 130700334) is 4-[(2R)-azetidin-2-yl]-3-chlorophenol.
What is the SMILES notation for 4-[(2R)-azetidin-2-yl]-3-chlorophenol?
The canonical SMILES for 4-[(2R)-azetidin-2-yl]-3-chlorophenol is Oc1ccc([C@H]2CCN2)c(Cl)c1.
What is the InChIKey of 4-[(2R)-azetidin-2-yl]-3-chlorophenol?
The InChIKey is JDTUDMYWPWYXAQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-8-5-6(12)1-2-7(8)9-3-4-11-9/h1-2,5,9,11-12H,3-4H2/t9-/m1/s1.
What are the key properties of 4-[(2R)-azetidin-2-yl]-3-chlorophenol?
4-[(2R)-azetidin-2-yl]-3-chlorophenol has a molecular weight of 183.64 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-azetidin-2-yl]-3-chlorophenol is sourced from PubChem (CID 130700334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).