(2S)-2-(4-chloro-3-methoxyphenyl)azetidine

C10H12ClNO — CID 55270648

IUPAC(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
SMILESCOc1cc([C@@H]2CCN2)ccc1Cl
InChIInChI=1S/C10H12ClNO/c1-13-10-6-7(2-3-8(10)11)9-4-5-12-9/h2-3,6,9,12H,4-5H2,1H3/t9-/m0/s1
InChIKeyLCXSKWWKCJTVEN-VIFPVBQESA-N
MW197.66 g/mol
LogP2.38
Rot. Bonds2

About (2S)-2-(4-chloro-3-methoxyphenyl)azetidine

(2S)-2-(4-chloro-3-methoxyphenyl)azetidine (PubChem CID 55270648) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methoxyphenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
PubChem CID55270648
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
SMILESCOc1cc([C@@H]2CCN2)ccc1Cl
InChIInChI=1S/C10H12ClNO/c1-13-10-6-7(2-3-8(10)11)9-4-5-12-9/h2-3,6,9,12H,4-5H2,1H3/t9-/m0/s1
InChIKeyLCXSKWWKCJTVEN-VIFPVBQESA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methoxyphenyl)azetidine?
The IUPAC name of (2S)-2-(4-chloro-3-methoxyphenyl)azetidine (CID 55270648) is (2S)-2-(4-chloro-3-methoxyphenyl)azetidine.
What is the SMILES notation for (2S)-2-(4-chloro-3-methoxyphenyl)azetidine?
The canonical SMILES for (2S)-2-(4-chloro-3-methoxyphenyl)azetidine is COc1cc([C@@H]2CCN2)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methoxyphenyl)azetidine?
The InChIKey is LCXSKWWKCJTVEN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-10-6-7(2-3-8(10)11)9-4-5-12-9/h2-3,6,9,12H,4-5H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methoxyphenyl)azetidine?
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine has a molecular weight of 197.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methoxyphenyl)azetidine is sourced from PubChem (CID 55270648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).