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

C22H26ClNO2 — CID 57069341

IUPAC(4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H26ClNO2/c1-24(2)14-15-3-5-16(6-4-15)18-9-12-21(25)20(13-18)22(26)17-7-10-19(23)11-8-17/h3-8,10-11,18,20-21,25H,9,12-14H2,1-2H3
InChIKeyOPIVLAJKDZUQCZ-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.53
Rot. Bonds5

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

(4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone (PubChem CID 57069341) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
PubChem CID57069341
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name(4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H26ClNO2/c1-24(2)14-15-3-5-16(6-4-15)18-9-12-21(25)20(13-18)22(26)17-7-10-19(23)11-8-17/h3-8,10-11,18,20-21,25H,9,12-14H2,1-2H3
InChIKeyOPIVLAJKDZUQCZ-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.53
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
4-[4-(4-Chlorophenyl)phenyl]-2-[2-[4-(diethylcarbamoyl)phenyl]ethyl]-4-oxobutanoic acid
CID 9935381
N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide
CID 10591608
4-[4-(4-Chlorophenyl)phenyl]-2-[2-[3-(diethylcarbamoyl)phenyl]ethyl]-4-oxobutanoic acid
CID 20790046
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 3-(4-chlorophenyl)propanoate
CID 21843706
N-[2-(4-Chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide
CID 22452648
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one;hydrochloride
CID 23362147
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 23362148
2-[1-[(4-Chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone
CID 25167402
2-(1-Benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone
CID 25167943
[(3R)-1-benzyl-4-(methylperoxymethyl)pyrrolidin-3-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 53929141

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone (CID 57069341) is (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
The InChIKey is OPIVLAJKDZUQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO2/c1-24(2)14-15-3-5-16(6-4-15)18-9-12-21(25)20(13-18)22(26)17-7-10-19(23)11-8-17/h3-8,10-11,18,20-21,25H,9,12-14H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
(4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone has a molecular weight of 371.91 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone is sourced from PubChem (CID 57069341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).