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

C21H26ClNO — CID 69338828

IUPAC3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(=Cc1ccccc1)C(O)(c1ccc(Cl)cc1)C(C)CN(C)C
InChIInChI=1S/C21H26ClNO/c1-16(14-18-8-6-5-7-9-18)21(24,17(2)15-23(3)4)19-10-12-20(22)13-11-19/h5-14,17,24H,15H2,1-4H3
InChIKeyLKKMLQHZWGTHFE-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.83
Rot. Bonds6

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

3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 69338828) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID69338828
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(=Cc1ccccc1)C(O)(c1ccc(Cl)cc1)C(C)CN(C)C
InChIInChI=1S/C21H26ClNO/c1-16(14-18-8-6-5-7-9-18)21(24,17(2)15-23(3)4)19-10-12-20(22)13-11-19/h5-14,17,24H,15H2,1-4H3
InChIKeyLKKMLQHZWGTHFE-UHFFFAOYSA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339203
(Z)-5-(dimethylamino)-3-(4-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339308
(Z)-5-(dimethylamino)-3-(4-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69338687
(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10131431
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)-3-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22643099
(E)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethyl-3-(3-methylphenyl)pent-1-en-3-ol
CID 22642886
(Z)-3-(2,3-dichlorophenyl)-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69339559
3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol
CID 69338574
3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
CID 69339880
(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-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol (CID 69338828) is 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol is CC(=Cc1ccccc1)C(O)(c1ccc(Cl)cc1)C(C)CN(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is LKKMLQHZWGTHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-16(14-18-8-6-5-7-9-18)21(24,17(2)15-23(3)4)19-10-12-20(22)13-11-19/h5-14,17,24H,15H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 343.90 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 69338828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).