2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride

C18H24ClNO4 — CID 139815958

IUPAC2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
SMILESCOc1ccc(C2CN(C(=O)Cl)CCO2)cc1OC1CCCCC1
InChIInChI=1S/C18H24ClNO4/c1-22-15-8-7-13(17-12-20(18(19)21)9-10-23-17)11-16(15)24-14-5-3-2-4-6-14/h7-8,11,14,17H,2-6,9-10,12H2,1H3
InChIKeyBUTMGXWFRBSZTD-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride

2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride (PubChem CID 139815958) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
PubChem CID139815958
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
SMILESCOc1ccc(C2CN(C(=O)Cl)CCO2)cc1OC1CCCCC1
InChIInChI=1S/C18H24ClNO4/c1-22-15-8-7-13(17-12-20(18(19)21)9-10-23-17)11-16(15)24-14-5-3-2-4-6-14/h7-8,11,14,17H,2-6,9-10,12H2,1H3
InChIKeyBUTMGXWFRBSZTD-UHFFFAOYSA-N
XLogP4.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815942
naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815956
pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815952
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 11778917
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 146143233
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
[(3S)-3-[(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]morpholin-4-yl]-[3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]morpholin-4-yl]methanone
CID 70063443
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride?
The IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride (CID 139815958) is 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride.
What is the SMILES notation for 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride?
The canonical SMILES for 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride is COc1ccc(C2CN(C(=O)Cl)CCO2)cc1OC1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride?
The InChIKey is BUTMGXWFRBSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-22-15-8-7-13(17-12-20(18(19)21)9-10-23-17)11-16(15)24-14-5-3-2-4-6-14/h7-8,11,14,17H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride?
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride has a molecular weight of 353.85 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride is sourced from PubChem (CID 139815958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).