3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride

C16H25BrClNO2 — CID 6603534

IUPAC3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
SMILESCCCC(O)(CCN1CCOCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C16H24BrNO2.ClH/c1-2-7-16(19,14-3-5-15(17)6-4-14)8-9-18-10-12-20-13-11-18;/h3-6,19H,2,7-13H2,1H3;1H
InChIKeyGYKRJZLLBDUNQA-UHFFFAOYSA-N
MW378.74 g/mol
LogP3.58
Rot. Bonds6

About 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride

3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride (PubChem CID 6603534) has the molecular formula C16H25BrClNO2 and a molecular weight of 378.74 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
PubChem CID6603534
Molecular FormulaC16H25BrClNO2
Molecular Weight378.74 g/mol
Exact Mass377.08
IUPAC Name3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
SMILESCCCC(O)(CCN1CCOCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C16H24BrNO2.ClH/c1-2-7-16(19,14-3-5-15(17)6-4-14)8-9-18-10-12-20-13-11-18;/h3-6,19H,2,7-13H2,1H3;1H
InChIKeyGYKRJZLLBDUNQA-UHFFFAOYSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride (CID 6603534) is 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride is CCCC(O)(CCN1CCOCC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The InChIKey is GYKRJZLLBDUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2.ClH/c1-2-7-16(19,14-3-5-15(17)6-4-14)8-9-18-10-12-20-13-11-18;/h3-6,19H,2,7-13H2,1H3;1H.
What are the key properties of 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride has a molecular weight of 378.74 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride is sourced from PubChem (CID 6603534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).