3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol

C22H28ClNO2 — CID 4193841

IUPAC3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H28ClNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h3-11,21,25H,2,12-17H2,1H3
InChIKeyAVDNBGWMBOVJHY-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.44
Rot. Bonds7

About 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol

3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (PubChem CID 4193841) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
PubChem CID4193841
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H28ClNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h3-11,21,25H,2,12-17H2,1H3
InChIKeyAVDNBGWMBOVJHY-UHFFFAOYSA-N
XLogP4.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(+)-(S)-Eliprodil
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (CID 4193841) is 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is CCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The InChIKey is AVDNBGWMBOVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h3-11,21,25H,2,12-17H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
3-(4-chlorophenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol has a molecular weight of 373.92 g/mol, XLogP of 4.44, 7 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-yl-2-phenylhexan-3-ol is sourced from PubChem (CID 4193841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).