(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

C21H24Cl2FNO — CID 69339559

IUPAC(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C/c1ccc(F)cc1)C(O)(c1cccc(Cl)c1Cl)C(C)CN(C)C
InChIInChI=1S/C21H24Cl2FNO/c1-14(12-16-8-10-17(24)11-9-16)21(26,15(2)13-25(3)4)18-6-5-7-19(22)20(18)23/h5-12,15,26H,13H2,1-4H3/b14-12-
InChIKeyVDPYWGKYGMNFRE-OWBHPGMISA-N
MW396.33 g/mol
LogP5.62
Rot. Bonds6

About (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (PubChem CID 69339559) has the molecular formula C21H24Cl2FNO and a molecular weight of 396.33 g/mol. Its IUPAC name is (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
PubChem CID69339559
Molecular FormulaC21H24Cl2FNO
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC Name(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C/c1ccc(F)cc1)C(O)(c1cccc(Cl)c1Cl)C(C)CN(C)C
InChIInChI=1S/C21H24Cl2FNO/c1-14(12-16-8-10-17(24)11-9-16)21(26,15(2)13-25(3)4)18-6-5-7-19(22)20(18)23/h5-12,15,26H,13H2,1-4H3/b14-12-
InChIKeyVDPYWGKYGMNFRE-OWBHPGMISA-N
XLogP5.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (CID 69339559) is (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is C/C(=C/c1ccc(F)cc1)C(O)(c1cccc(Cl)c1Cl)C(C)CN(C)C.
What is the InChIKey of (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is VDPYWGKYGMNFRE-OWBHPGMISA-N. The full InChI is InChI=1S/C21H24Cl2FNO/c1-14(12-16-8-10-17(24)11-9-16)21(26,15(2)13-25(3)4)18-6-5-7-19(22)20(18)23/h5-12,15,26H,13H2,1-4H3/b14-12-.
What are the key properties of (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 396.33 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 69339559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).