(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

C22H27ClFNO — CID 69338748

IUPAC(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C/c1ccc(F)cc1)C(O)(Cc1ccc(Cl)cc1)C(C)CN(C)C
InChIInChI=1S/C22H27ClFNO/c1-16(13-18-7-11-21(24)12-8-18)22(26,17(2)15-25(3)4)14-19-5-9-20(23)10-6-19/h5-13,17,26H,14-15H2,1-4H3/b16-13-
InChIKeyGVWQGNPSAGZMID-SSZFMOIBSA-N
MW375.92 g/mol
LogP5.05
Rot. Bonds7

About (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (PubChem CID 69338748) has the molecular formula C22H27ClFNO and a molecular weight of 375.92 g/mol. Its IUPAC name is (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
PubChem CID69338748
Molecular FormulaC22H27ClFNO
Molecular Weight375.92 g/mol
Exact Mass375.18
IUPAC Name(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C/c1ccc(F)cc1)C(O)(Cc1ccc(Cl)cc1)C(C)CN(C)C
InChIInChI=1S/C22H27ClFNO/c1-16(13-18-7-11-21(24)12-8-18)22(26,17(2)15-25(3)4)14-19-5-9-20(23)10-6-19/h5-13,17,26H,14-15H2,1-4H3/b16-13-
InChIKeyGVWQGNPSAGZMID-SSZFMOIBSA-N
XLogP5.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol with MolForge

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339926
3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
CID 154062035
(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338670
(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22642700
(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
CID 22642671
(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338484
(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339559
3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338828
(Z)-5-(dimethylamino)-3-(4-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339308
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22643099
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338936
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
CID 22642886

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (CID 69338748) is (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is C/C(=C/c1ccc(F)cc1)C(O)(Cc1ccc(Cl)cc1)C(C)CN(C)C.
What is the InChIKey of (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is GVWQGNPSAGZMID-SSZFMOIBSA-N. The full InChI is InChI=1S/C22H27ClFNO/c1-16(13-18-7-11-21(24)12-8-18)22(26,17(2)15-25(3)4)14-19-5-9-20(23)10-6-19/h5-13,17,26H,14-15H2,1-4H3/b16-13-.
What are the key properties of (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 375.92 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 69338748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).