4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one

C20H23NO2 — CID 67666419

IUPAC4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one
SMILESCNCc1ccc(-c2ccc(C3CC(O)CCC3=O)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-21-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)19-12-18(22)10-11-20(19)23/h2-9,18-19,21-22H,10-13H2,1H3
InChIKeyGGZPOKNFAMQQAT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.27
Rot. Bonds4

About 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one

4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one (PubChem CID 67666419) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one
PubChem CID67666419
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one
SMILESCNCc1ccc(-c2ccc(C3CC(O)CCC3=O)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-21-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)19-12-18(22)10-11-20(19)23/h2-9,18-19,21-22H,10-13H2,1H3
InChIKeyGGZPOKNFAMQQAT-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-[1,1'-biphenyl]-4-carboxamide
CID 56764306
trans-N-(biphenyl-4-ylmethyl)-3-hydroxycyclohexanecarboxamide
CID 91764753
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-fluorophenyl)ethanone
CID 57100637
N-methyl-(r)a-benzyl-a-aminomethylphenylacetic acid
CID 129700637
N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide
CID 134946823
(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide
CID 166439077
1-[4-[4-[(But-3-enylamino)methyl]phenyl]phenyl]-9-hydroxynonan-1-one
CID 19742059
Benzene;1-[4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxycyclohexyl]ethanone
CID 21843719
1-[5-[4-[[Bis(prop-2-enyl)amino]methyl]phenyl]-2-hydroxycyclohexyl]ethanone
CID 56975416
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
CID 57005149
1-[5-[4-[(Dipropylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
CID 57014885
2-(4-Chlorophenyl)-1-[2-hydroxy-5-[4-(methylaminomethyl)phenyl]cyclohexyl]ethanone
CID 57021175

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one?
The IUPAC name of 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one (CID 67666419) is 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one is CNCc1ccc(-c2ccc(C3CC(O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one?
The InChIKey is GGZPOKNFAMQQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)19-12-18(22)10-11-20(19)23/h2-9,18-19,21-22H,10-13H2,1H3.
What are the key properties of 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one?
4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-[4-(methylaminomethyl)phenyl]phenyl]cyclohexan-1-one is sourced from PubChem (CID 67666419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).