2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone

C23H28ClNO2 — CID 57288367

IUPAC2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H28ClNO2/c1-25(2)15-17-3-7-18(8-4-17)19-9-12-22(26)21(14-19)23(27)13-16-5-10-20(24)11-6-16/h3-8,10-11,19,21-22,26H,9,12-15H2,1-2H3
InChIKeyOWPUQOFVOGFDJI-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.46
Rot. Bonds6

About 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone

2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone (PubChem CID 57288367) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
PubChem CID57288367
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Name2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H28ClNO2/c1-25(2)15-17-3-7-18(8-4-17)19-9-12-22(26)21(14-19)23(27)13-16-5-10-20(24)11-6-16/h3-8,10-11,19,21-22,26H,9,12-15H2,1-2H3
InChIKeyOWPUQOFVOGFDJI-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-fluorophenyl)ethanone
CID 57100637
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 57209308
trans-O-(4-chlorophenylacetyl)-4-(4-dimethylaminomethylphenyl)-cyclohexanol
CID 9886451
[4-[4-(Diethylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843691
trans-O-(4-Chlorophenylacetyl)-4-(4-dimethylaminomethylphenyl)-cyclohexanol-hydrochloride
CID 21843695
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 3-(4-chlorophenyl)propanoate
CID 21843706
[4-[4-[(Dipropylamino)methyl]phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843709
[4-[4-[[Bis(prop-2-enyl)amino]methyl]phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843728
1-[5-[4-[[Bis(prop-2-enyl)amino]methyl]phenyl]-2-hydroxycyclohexyl]ethanone
CID 56975416
3-(4-Chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]prop-2-en-1-one
CID 56988654
(4-Chloro-3-methylphenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
CID 57002873
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
CID 57005149

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone (CID 57288367) is 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
The InChIKey is OWPUQOFVOGFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO2/c1-25(2)15-17-3-7-18(8-4-17)19-9-12-22(26)21(14-19)23(27)13-16-5-10-20(24)11-6-16/h3-8,10-11,19,21-22,26H,9,12-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone has a molecular weight of 385.94 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 57288367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).