2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol

C23H29ClFNO2 — CID 23606608

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol
SMILESCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClFNO2/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18/h4-11,22,27H,2-3,12-17H2,1H3
InChIKeyBTGJJKUUMGGZNO-UHFFFAOYSA-N
MW405.94 g/mol
LogP4.97
Rot. Bonds8

About 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol

2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol (PubChem CID 23606608) has the molecular formula C23H29ClFNO2 and a molecular weight of 405.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol
PubChem CID23606608
Molecular FormulaC23H29ClFNO2
Molecular Weight405.94 g/mol
Exact Mass405.19
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol
SMILESCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClFNO2/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18/h4-11,22,27H,2-3,12-17H2,1H3
InChIKeyBTGJJKUUMGGZNO-UHFFFAOYSA-N
XLogP4.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol (CID 23606608) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol is CCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol?
The InChIKey is BTGJJKUUMGGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFNO2/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18/h4-11,22,27H,2-3,12-17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol?
2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol has a molecular weight of 405.94 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol is sourced from PubChem (CID 23606608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).