2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone

C17H19NO3 — CID 23319775

IUPAC2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C(O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-18(2)14-8-4-12(5-9-14)16(19)17(20)13-6-10-15(21-3)11-7-13/h4-11,16,19H,1-3H3
InChIKeyKRFBBYOMYGHCCP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone

2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone (PubChem CID 23319775) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
PubChem CID23319775
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C(O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-18(2)14-8-4-12(5-9-14)16(19)17(20)13-6-10-15(21-3)11-7-13/h4-11,16,19H,1-3H3
InChIKeyKRFBBYOMYGHCCP-UHFFFAOYSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
[4-(dimethylamino)pyridin-1-ium-1-yl]-(4-methoxyphenyl)methanone
CID 10637436
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone (CID 23319775) is 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)C(O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone?
The InChIKey is KRFBBYOMYGHCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(2)14-8-4-12(5-9-14)16(19)17(20)13-6-10-15(21-3)11-7-13/h4-11,16,19H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone?
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone has a molecular weight of 285.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 23319775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).