3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol

C13H17Cl2NO2 — CID 95175790

IUPAC3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
SMILESOCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO2/c14-11-3-2-10(8-12(11)15)13-9-16(4-1-6-17)5-7-18-13/h2-3,8,13,17H,1,4-7,9H2/t13-/m0/s1
InChIKeyINCDKJJHZIJJNB-ZDUSSCGKSA-N
MW290.19 g/mol
LogP2.75
Rot. Bonds4

About 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol

3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol (PubChem CID 95175790) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
PubChem CID95175790
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
SMILESOCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO2/c14-11-3-2-10(8-12(11)15)13-9-16(4-1-6-17)5-7-18-13/h2-3,8,13,17H,1,4-7,9H2/t13-/m0/s1
InChIKeyINCDKJJHZIJJNB-ZDUSSCGKSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
CID 95402420
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol?
The IUPAC name of 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol (CID 95175790) is 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol is OCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol?
The InChIKey is INCDKJJHZIJJNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-11-3-2-10(8-12(11)15)13-9-16(4-1-6-17)5-7-18-13/h2-3,8,13,17H,1,4-7,9H2/t13-/m0/s1.
What are the key properties of 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol?
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol has a molecular weight of 290.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol is sourced from PubChem (CID 95175790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).