1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol

C14H19BrClNO3 — CID 82781196

IUPAC1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
SMILESOCC1CN(CCC(O)c2ccc(Br)cc2Cl)CCO1
InChIInChI=1S/C14H19BrClNO3/c15-10-1-2-12(13(16)7-10)14(19)3-4-17-5-6-20-11(8-17)9-18/h1-2,7,11,14,18-19H,3-6,8-9H2
InChIKeyZCZXHZUYPFNGKM-UHFFFAOYSA-N
MW364.67 g/mol
LogP2.22
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol (PubChem CID 82781196) has the molecular formula C14H19BrClNO3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
PubChem CID82781196
Molecular FormulaC14H19BrClNO3
Molecular Weight364.67 g/mol
Exact Mass363.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
SMILESOCC1CN(CCC(O)c2ccc(Br)cc2Cl)CCO1
InChIInChI=1S/C14H19BrClNO3/c15-10-1-2-12(13(16)7-10)14(19)3-4-17-5-6-20-11(8-17)9-18/h1-2,7,11,14,18-19H,3-6,8-9H2
InChIKeyZCZXHZUYPFNGKM-UHFFFAOYSA-N
XLogP2.22
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81212947
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-ol
CID 82780908
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 82781081
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
CID 82776674
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395258
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol (CID 82781196) is 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol is OCC1CN(CCC(O)c2ccc(Br)cc2Cl)CCO1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
The InChIKey is ZCZXHZUYPFNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO3/c15-10-1-2-12(13(16)7-10)14(19)3-4-17-5-6-20-11(8-17)9-18/h1-2,7,11,14,18-19H,3-6,8-9H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol has a molecular weight of 364.67 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol is sourced from PubChem (CID 82781196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).