3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol

C17H18FNO — CID 100620709

IUPAC3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol
SMILESCc1cccc(CN2CC(O)(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H18FNO/c1-13-3-2-4-14(9-13)10-19-11-17(20,12-19)15-5-7-16(18)8-6-15/h2-9,20H,10-12H2,1H3
InChIKeyZJDQBLBXGCDEGJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.84
Rot. Bonds3

About 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol

3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol (PubChem CID 100620709) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol
PubChem CID100620709
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol
SMILESCc1cccc(CN2CC(O)(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H18FNO/c1-13-3-2-4-14(9-13)10-19-11-17(20,12-19)15-5-7-16(18)8-6-15/h2-9,20H,10-12H2,1H3
InChIKeyZJDQBLBXGCDEGJ-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
CID 126799650
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
3-(4-fluorophenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728444
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
CID 91012833
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
CID 64832083
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol (CID 100620709) is 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol is Cc1cccc(CN2CC(O)(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol?
The InChIKey is ZJDQBLBXGCDEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-3-2-4-14(9-13)10-19-11-17(20,12-19)15-5-7-16(18)8-6-15/h2-9,20H,10-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol?
3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol has a molecular weight of 271.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 100620709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).