[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone

C20H20ClNO3 — CID 126783216

IUPAC[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2cccc(O)c2)C1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClNO3/c21-16-5-2-4-15(12-16)20(7-8-20)19(24)22-9-10-25-18(13-22)14-3-1-6-17(23)11-14/h1-6,11-12,18,23H,7-10,13H2
InChIKeyCQLLLLCNUIBBNV-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.68
Rot. Bonds3

About [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone

[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone (PubChem CID 126783216) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
PubChem CID126783216
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2cccc(O)c2)C1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClNO3/c21-16-5-2-4-15(12-16)20(7-8-20)19(24)22-9-10-25-18(13-22)14-3-1-6-17(23)11-14/h1-6,11-12,18,23H,7-10,13H2
InChIKeyCQLLLLCNUIBBNV-UHFFFAOYSA-N
XLogP3.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 124622379
[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 122139221
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134567
(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170
[4-(3-chlorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580343
[4-(3-chlorophenyl)oxan-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638947
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
[2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110609508
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone (CID 126783216) is [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone is O=C(N1CCOC(c2cccc(O)c2)C1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
The InChIKey is CQLLLLCNUIBBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-16-5-2-4-15(12-16)20(7-8-20)19(24)22-9-10-25-18(13-22)14-3-1-6-17(23)11-14/h1-6,11-12,18,23H,7-10,13H2.
What are the key properties of [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone?
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone has a molecular weight of 357.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 126783216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).