(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol

C22H28FNO2 — CID 22643099

IUPAC(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
SMILESCOc1ccc(C(O)(/C(C)=C/c2ccc(F)cc2)C(C)CN(C)C)cc1
InChIInChI=1S/C22H28FNO2/c1-16(14-18-6-10-20(23)11-7-18)22(25,17(2)15-24(3)4)19-8-12-21(26-5)13-9-19/h6-14,17,25H,15H2,1-5H3/b16-14+
InChIKeyGNKLGDVTLWRLCL-JQIJEIRASA-N
MW357.47 g/mol
LogP4.32
Rot. Bonds7

About (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol

(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol (PubChem CID 22643099) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
PubChem CID22643099
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Name(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
SMILESCOc1ccc(C(O)(/C(C)=C/c2ccc(F)cc2)C(C)CN(C)C)cc1
InChIInChI=1S/C22H28FNO2/c1-16(14-18-6-10-20(23)11-7-18)22(25,17(2)15-24(3)4)19-8-12-21(26-5)13-9-19/h6-14,17,25H,15H2,1-5H3/b16-14+
InChIKeyGNKLGDVTLWRLCL-JQIJEIRASA-N
XLogP4.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol with MolForge

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Related Compounds

(Z)-5-(dimethylamino)-3-(4-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338687
(Z)-5-(dimethylamino)-3-(4-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339308
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
CID 22642886
(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22642700
(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10131431
(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
5-(dimethylamino)-3-(2-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339291
(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol
CID 22643026
3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339203
3-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339926
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931

Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol (CID 22643099) is (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol is COc1ccc(C(O)(/C(C)=C/c2ccc(F)cc2)C(C)CN(C)C)cc1.
What is the InChIKey of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is GNKLGDVTLWRLCL-JQIJEIRASA-N. The full InChI is InChI=1S/C22H28FNO2/c1-16(14-18-6-10-20(23)11-7-18)22(25,17(2)15-24(3)4)19-8-12-21(26-5)13-9-19/h6-14,17,25H,15H2,1-5H3/b16-14+.
What are the key properties of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 357.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 22643099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).