3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride

C24H26ClNO — CID 70255161

IUPAC3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride
SMILESC/C(CN(C)C)=C(\c1ccc(-c2ccccc2)cc1)c1cccc(O)c1.Cl
InChIInChI=1S/C24H25NO.ClH/c1-18(17-25(2)3)24(22-10-7-11-23(26)16-22)21-14-12-20(13-15-21)19-8-5-4-6-9-19;/h4-16,26H,17H2,1-3H3;1H/b24-18-;
InChIKeyOYCAZUKYMXJFRV-XWASNXTISA-N
MW379.93 g/mol
LogP5.86
Rot. Bonds5

About 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride

3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride (PubChem CID 70255161) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride
PubChem CID70255161
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC Name3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride
SMILESC/C(CN(C)C)=C(\c1ccc(-c2ccccc2)cc1)c1cccc(O)c1.Cl
InChIInChI=1S/C24H25NO.ClH/c1-18(17-25(2)3)24(22-10-7-11-23(26)16-22)21-14-12-20(13-15-21)19-8-5-4-6-9-19;/h4-16,26H,17H2,1-3H3;1H/b24-18-;
InChIKeyOYCAZUKYMXJFRV-XWASNXTISA-N
XLogP5.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.86
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)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
CID 15411191
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
3-[(E)-2-(3-hydroxyphenyl)-1,2-bis(4-methylphenyl)ethenyl]phenol
CID 71093796
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone
CID 143575407
octalen-2-ol
CID 174999308
acetyl chloride;4-phenylphenol
CID 174878083
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride?
The IUPAC name of 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride (CID 70255161) is 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride?
The canonical SMILES for 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride is C/C(CN(C)C)=C(\c1ccc(-c2ccccc2)cc1)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride?
The InChIKey is OYCAZUKYMXJFRV-XWASNXTISA-N. The full InChI is InChI=1S/C24H25NO.ClH/c1-18(17-25(2)3)24(22-10-7-11-23(26)16-22)21-14-12-20(13-15-21)19-8-5-4-6-9-19;/h4-16,26H,17H2,1-3H3;1H/b24-18-;.
What are the key properties of 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride?
3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride is sourced from PubChem (CID 70255161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).