[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol

C13H18ClNO3 — CID 112612743

IUPAC[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
SMILESCN1CCOC(COc2c(Cl)cccc2CO)C1
InChIInChI=1S/C13H18ClNO3/c1-15-5-6-17-11(7-15)9-18-13-10(8-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3
InChIKeyOTTLCIQRBIEYJO-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.54
Rot. Bonds4

About [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol

[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol (PubChem CID 112612743) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
PubChem CID112612743
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
SMILESCN1CCOC(COc2c(Cl)cccc2CO)C1
InChIInChI=1S/C13H18ClNO3/c1-15-5-6-17-11(7-15)9-18-13-10(8-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3
InChIKeyOTTLCIQRBIEYJO-UHFFFAOYSA-N
XLogP1.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 112607579
2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
CID 102567713
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 79172447
1-[3-methoxy-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79172506
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979731
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
2-[[2-(2-chlorophenoxy)phenyl]methyl]-4-methylmorpholine
CID 150616365

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol (CID 112612743) is [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol is CN1CCOC(COc2c(Cl)cccc2CO)C1.
What is the InChIKey of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
The InChIKey is OTTLCIQRBIEYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-15-5-6-17-11(7-15)9-18-13-10(8-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3.
What are the key properties of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol has a molecular weight of 271.74 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 112612743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).