(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride

C10H12Cl3NO — CID 71515954

IUPAC(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
SMILESCl.O[C@H](c1ccc(Cl)c(Cl)c1)C1CNC1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-6(3-9(8)12)10(14)7-4-13-5-7;/h1-3,7,10,13-14H,4-5H2;1H/t10-;/m1./s1
InChIKeyFFGCXFVIKAASPQ-HNCPQSOCSA-N
MW268.57 g/mol
LogP2.67
Rot. Bonds2

About (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride

(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride (PubChem CID 71515954) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride.

Molecular Properties

Compound Name(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
PubChem CID71515954
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
SMILESCl.O[C@H](c1ccc(Cl)c(Cl)c1)C1CNC1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-6(3-9(8)12)10(14)7-4-13-5-7;/h1-3,7,10,13-14H,4-5H2;1H/t10-;/m1./s1
InChIKeyFFGCXFVIKAASPQ-HNCPQSOCSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
3-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]azetidine
CID 59446673
3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
CID 86722613
3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
[(S)-azetidin-3-yl-(3,4-dichlorophenyl)methyl] benzoate
CID 71516067
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
3-[azetidin-3-yl(hydroxy)methyl]benzonitrile
CID 130510427

Frequently Asked Questions

What is the IUPAC name of (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride?
The IUPAC name of (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride (CID 71515954) is (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride.
What is the SMILES notation for (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride?
The canonical SMILES for (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride is Cl.O[C@H](c1ccc(Cl)c(Cl)c1)C1CNC1.
What is the InChIKey of (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride?
The InChIKey is FFGCXFVIKAASPQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-6(3-9(8)12)10(14)7-4-13-5-7;/h1-3,7,10,13-14H,4-5H2;1H/t10-;/m1./s1.
What are the key properties of (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride?
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride is sourced from PubChem (CID 71515954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).