[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol

C14H20ClNO3 — CID 102935770

IUPAC[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCOc2cccc(Cl)c2)CC(CO)O1
InChIInChI=1S/C14H20ClNO3/c1-11-8-16(9-14(10-17)19-11)5-6-18-13-4-2-3-12(15)7-13/h2-4,7,11,14,17H,5-6,8-10H2,1H3
InChIKeyGXSCVWUFQYUKIQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.80
Rot. Bonds5

About [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol

[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935770) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935770
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCOc2cccc(Cl)c2)CC(CO)O1
InChIInChI=1S/C14H20ClNO3/c1-11-8-16(9-14(10-17)19-11)5-6-18-13-4-2-3-12(15)7-13/h2-4,7,11,14,17H,5-6,8-10H2,1H3
InChIKeyGXSCVWUFQYUKIQ-UHFFFAOYSA-N
XLogP1.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one
CID 102934754
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932079
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
CID 102933390
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol (CID 102935770) is [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol is CC1CN(CCOc2cccc(Cl)c2)CC(CO)O1.
What is the InChIKey of [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is GXSCVWUFQYUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-11-8-16(9-14(10-17)19-11)5-6-18-13-4-2-3-12(15)7-13/h2-4,7,11,14,17H,5-6,8-10H2,1H3.
What are the key properties of [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 285.77 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).