3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine

C17H17Cl2NO — CID 71516269

IUPAC3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
SMILESCc1cccc(O[C@@H](c2ccc(Cl)c(Cl)c2)C2CNC2)c1
InChIInChI=1S/C17H17Cl2NO/c1-11-3-2-4-14(7-11)21-17(13-9-20-10-13)12-5-6-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3/t17-/m0/s1
InChIKeyRZFZHOLOKPTYMB-KRWDZBQOSA-N
MW322.24 g/mol
LogP4.64
Rot. Bonds4

About 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine

3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine (PubChem CID 71516269) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
PubChem CID71516269
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
SMILESCc1cccc(O[C@@H](c2ccc(Cl)c(Cl)c2)C2CNC2)c1
InChIInChI=1S/C17H17Cl2NO/c1-11-3-2-4-14(7-11)21-17(13-9-20-10-13)12-5-6-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3/t17-/m0/s1
InChIKeyRZFZHOLOKPTYMB-KRWDZBQOSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
[(S)-azetidin-3-yl-(3,4-dichlorophenyl)methyl] benzoate
CID 71516067
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(S)-(4-chloro-3-fluorophenyl)-(2-methylphenoxy)methyl]azetidine;hydrochloride
CID 71515548
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
CID 118706043
3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71515688

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine?
The IUPAC name of 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine (CID 71516269) is 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine is Cc1cccc(O[C@@H](c2ccc(Cl)c(Cl)c2)C2CNC2)c1.
What is the InChIKey of 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine?
The InChIKey is RZFZHOLOKPTYMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11-3-2-4-14(7-11)21-17(13-9-20-10-13)12-5-6-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3/t17-/m0/s1.
What are the key properties of 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine?
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine has a molecular weight of 322.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine is sourced from PubChem (CID 71516269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).