2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone

C11H15NO3 — CID 170896098

IUPAC2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
SMILESCOc1cc(O)ccc1C(=O)CN(C)C
InChIInChI=1S/C11H15NO3/c1-12(2)7-10(14)9-5-4-8(13)6-11(9)15-3/h4-6,13H,7H2,1-3H3
InChIKeyDUDMRIHXIGDCLP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.15
Rot. Bonds4

About 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone

2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone (PubChem CID 170896098) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
PubChem CID170896098
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
SMILESCOc1cc(O)ccc1C(=O)CN(C)C
InChIInChI=1S/C11H15NO3/c1-12(2)7-10(14)9-5-4-8(13)6-11(9)15-3/h4-6,13H,7H2,1-3H3
InChIKeyDUDMRIHXIGDCLP-UHFFFAOYSA-N
XLogP1.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 63700393
4-[3-(4-hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate
CID 86289305
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25201046
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
1-(4,5-dimethoxy-2-nitrophenyl)-2-(dimethylamino)ethanone
CID 170896249
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 143338501

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone (CID 170896098) is 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone is COc1cc(O)ccc1C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone?
The InChIKey is DUDMRIHXIGDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(2)7-10(14)9-5-4-8(13)6-11(9)15-3/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone?
2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone has a molecular weight of 209.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone is sourced from PubChem (CID 170896098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).