[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol

C13H17ClFNO2 — CID 117045082

IUPAC[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
SMILESCc1cc(Cl)c(CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C13H17ClFNO2/c1-9-4-12(14)10(5-13(9)15)6-16-2-3-18-11(7-16)8-17/h4-5,11,17H,2-3,6-8H2,1H3
InChIKeyYKOCGADAYUUVDQ-UHFFFAOYSA-N
MW273.73 g/mol
LogP1.98
Rot. Bonds3

About [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol

[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol (PubChem CID 117045082) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
PubChem CID117045082
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
SMILESCc1cc(Cl)c(CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C13H17ClFNO2/c1-9-4-12(14)10(5-13(9)15)6-16-2-3-18-11(7-16)8-17/h4-5,11,17H,2-3,6-8H2,1H3
InChIKeyYKOCGADAYUUVDQ-UHFFFAOYSA-N
XLogP1.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81219058
2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 117045104
2-[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperazin-1-yl]ethanamine
CID 117045111
[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol
CID 99853569
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79833294
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]-3-methylbenzenecarbothioamide
CID 114482010
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol (CID 117045082) is [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol is Cc1cc(Cl)c(CN2CCOC(CO)C2)cc1F.
What is the InChIKey of [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is YKOCGADAYUUVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-9-4-12(14)10(5-13(9)15)6-16-2-3-18-11(7-16)8-17/h4-5,11,17H,2-3,6-8H2,1H3.
What are the key properties of [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol?
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 273.73 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 117045082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).