(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol

C22H28FNO — CID 22642886

IUPAC(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
SMILESC/C(=C\c1ccc(F)cc1)C(O)(c1cccc(C)c1)C(C)CN(C)C
InChIInChI=1S/C22H28FNO/c1-16-7-6-8-20(13-16)22(25,18(3)15-24(4)5)17(2)14-19-9-11-21(23)12-10-19/h6-14,18,25H,15H2,1-5H3/b17-14+
InChIKeySXUBPXZHYPYUOY-SAPNQHFASA-N
MW341.47 g/mol
LogP4.62
Rot. Bonds6

About (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol

(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol (PubChem CID 22642886) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
PubChem CID22642886
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
SMILESC/C(=C\c1ccc(F)cc1)C(O)(c1cccc(C)c1)C(C)CN(C)C
InChIInChI=1S/C22H28FNO/c1-16-7-6-8-20(13-16)22(25,18(3)15-24(4)5)17(2)14-19-9-11-21(23)12-10-19/h6-14,18,25H,15H2,1-5H3/b17-14+
InChIKeySXUBPXZHYPYUOY-SAPNQHFASA-N
XLogP4.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10131431
(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
(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339559
(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338484
3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339203
3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338828
(Z)-5-(dimethylamino)-3-(4-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338687
3-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339926
(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338748
3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
CID 69339880

Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol?
The IUPAC name of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol (CID 22642886) is (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol.
What is the SMILES notation for (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol?
The canonical SMILES for (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol is C/C(=C\c1ccc(F)cc1)C(O)(c1cccc(C)c1)C(C)CN(C)C.
What is the InChIKey of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol?
The InChIKey is SXUBPXZHYPYUOY-SAPNQHFASA-N. The full InChI is InChI=1S/C22H28FNO/c1-16-7-6-8-20(13-16)22(25,18(3)15-24(4)5)17(2)14-19-9-11-21(23)12-10-19/h6-14,18,25H,15H2,1-5H3/b17-14+.
What are the key properties of (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol?
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol has a molecular weight of 341.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol is sourced from PubChem (CID 22642886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).