(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H18ClNO3 — CID 106501494

IUPAC(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-10-8-19-9(2)7-16(10)14(18)12-6-11(17)4-5-13(12)15/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyIAXIBLFVRCSKIX-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.69
Rot. Bonds2

About (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 106501494) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID106501494
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-10-8-19-9(2)7-16(10)14(18)12-6-11(17)4-5-13(12)15/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyIAXIBLFVRCSKIX-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 60717314
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103600035
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
1-(5-ethyl-2-methylmorpholin-4-yl)-2-(3-hydroxyphenyl)ethanone
CID 61424310
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 115930981
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 106501494) is (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is IAXIBLFVRCSKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-10-8-19-9(2)7-16(10)14(18)12-6-11(17)4-5-13(12)15/h4-6,9-10,17H,3,7-8H2,1-2H3.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 283.75 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 106501494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).