3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol

C16H24ClNO2 — CID 567605

IUPAC3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol
SMILESCCCC(O)(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/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
InChIKeyRUPLEXNPIPEOBN-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.05
Rot. Bonds6

About 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol

3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol (PubChem CID 567605) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol
PubChem CID567605
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol
SMILESCCCC(O)(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/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
InChIKeyRUPLEXNPIPEOBN-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol (CID 567605) is 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol is CCCC(O)(CCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol?
The InChIKey is RUPLEXNPIPEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/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.
What are the key properties of 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol?
3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol has a molecular weight of 297.83 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol is sourced from PubChem (CID 567605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).