[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol

C18H19ClFNO — CID 170736567

IUPAC[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol
SMILESCc1cc(C2CN(c3c(C)cccc3Cl)C2)cc(F)c1CO
InChIInChI=1S/C18H19ClFNO/c1-11-4-3-5-16(19)18(11)21-8-14(9-21)13-6-12(2)15(10-22)17(20)7-13/h3-7,14,22H,8-10H2,1-2H3
InChIKeyHJQYVSMRTWNRBK-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.19
Rot. Bonds3

About [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol

[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol (PubChem CID 170736567) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol
PubChem CID170736567
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol
SMILESCc1cc(C2CN(c3c(C)cccc3Cl)C2)cc(F)c1CO
InChIInChI=1S/C18H19ClFNO/c1-11-4-3-5-16(19)18(11)21-8-14(9-21)13-6-12(2)15(10-22)17(20)7-13/h3-7,14,22H,8-10H2,1-2H3
InChIKeyHJQYVSMRTWNRBK-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol?
The IUPAC name of [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol (CID 170736567) is [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol.
What is the SMILES notation for [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol?
The canonical SMILES for [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol is Cc1cc(C2CN(c3c(C)cccc3Cl)C2)cc(F)c1CO.
What is the InChIKey of [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol?
The InChIKey is HJQYVSMRTWNRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-11-4-3-5-16(19)18(11)21-8-14(9-21)13-6-12(2)15(10-22)17(20)7-13/h3-7,14,22H,8-10H2,1-2H3.
What are the key properties of [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol?
[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol has a molecular weight of 319.81 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol is sourced from PubChem (CID 170736567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).