3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol

C21H25Cl2NO — CID 69339203

IUPAC3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(=Cc1ccccc1)C(O)(c1cc(Cl)cc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C21H25Cl2NO/c1-15(10-17-8-6-5-7-9-17)21(25,16(2)14-24(3)4)18-11-19(22)13-20(23)12-18/h5-13,16,25H,14H2,1-4H3
InChIKeyFTPNDFKHBFYMQC-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.48
Rot. Bonds6

About 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol

3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 69339203) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID69339203
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC Name3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(=Cc1ccccc1)C(O)(c1cc(Cl)cc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C21H25Cl2NO/c1-15(10-17-8-6-5-7-9-17)21(25,16(2)14-24(3)4)18-11-19(22)13-20(23)12-18/h5-13,16,25H,14H2,1-4H3
InChIKeyFTPNDFKHBFYMQC-UHFFFAOYSA-N
XLogP5.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10131431
(Z)-5-(dimethylamino)-3-(4-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338687
5-(dimethylamino)-3-(2-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339291
(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338670
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
CID 22642886
3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
CID 69339880
(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339559
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22643099
3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol
CID 69338574
(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338748

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol (CID 69339203) is 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol is CC(=Cc1ccccc1)C(O)(c1cc(Cl)cc(Cl)c1)C(C)CN(C)C.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is FTPNDFKHBFYMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c1-15(10-17-8-6-5-7-9-17)21(25,16(2)14-24(3)4)18-11-19(22)13-20(23)12-18/h5-13,16,25H,14H2,1-4H3.
What are the key properties of 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 378.34 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 69339203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).