3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol

C24H24ClNO — CID 15411191

IUPAC3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
SMILESC/C(CN(C)C)=C(\c1ccc(-c2ccc(Cl)cc2)cc1)c1cccc(O)c1
InChIInChI=1S/C24H24ClNO/c1-17(16-26(2)3)24(21-5-4-6-23(27)15-21)20-9-7-18(8-10-20)19-11-13-22(25)14-12-19/h4-15,27H,16H2,1-3H3/b24-17-
InChIKeyNEFCDVBYJGWUOR-ULJHMMPZSA-N
MW377.92 g/mol
LogP6.10
Rot. Bonds5

About 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol

3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol (PubChem CID 15411191) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol.

Molecular Properties

Compound Name3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
PubChem CID15411191
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
SMILESC/C(CN(C)C)=C(\c1ccc(-c2ccc(Cl)cc2)cc1)c1cccc(O)c1
InChIInChI=1S/C24H24ClNO/c1-17(16-26(2)3)24(21-5-4-6-23(27)15-21)20-9-7-18(8-10-20)19-11-13-22(25)14-12-19/h4-15,27H,16H2,1-3H3/b24-17-
InChIKeyNEFCDVBYJGWUOR-ULJHMMPZSA-N
XLogP6.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol;hydrochloride
CID 70252245
3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride
CID 70255161
3-(4-chlorophenyl)phenol
CID 3015395
5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
CID 158245364
3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
CID 71093796
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
CID 23766294
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
[4-(3-chloro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969694

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol?
The IUPAC name of 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol (CID 15411191) is 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol.
What is the SMILES notation for 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol?
The canonical SMILES for 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol is C/C(CN(C)C)=C(\c1ccc(-c2ccc(Cl)cc2)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol?
The InChIKey is NEFCDVBYJGWUOR-ULJHMMPZSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-17(16-26(2)3)24(21-5-4-6-23(27)15-21)20-9-7-18(8-10-20)19-11-13-22(25)14-12-19/h4-15,27H,16H2,1-3H3/b24-17-.
What are the key properties of 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol?
3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol has a molecular weight of 377.92 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol is sourced from PubChem (CID 15411191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).