1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone

C11H14ClNO3 — CID 117361222

IUPAC1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)cc(OC)c(O)c1Cl
InChIInChI=1S/C11H14ClNO3/c1-6-4-8(16-3)11(15)10(12)9(6)7(14)5-13-2/h4,13,15H,5H2,1-3H3
InChIKeyORNIAOKDOMMLLE-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.76
Rot. Bonds4

About 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone

1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone (PubChem CID 117361222) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
PubChem CID117361222
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)cc(OC)c(O)c1Cl
InChIInChI=1S/C11H14ClNO3/c1-6-4-8(16-3)11(15)10(12)9(6)7(14)5-13-2/h4,13,15H,5H2,1-3H3
InChIKeyORNIAOKDOMMLLE-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
2-amino-1-(2-chloro-3,4-dihydroxy-6-methylphenyl)ethanone
CID 117307262
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
CID 84680628
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone (CID 117361222) is 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)cc(OC)c(O)c1Cl.
What is the InChIKey of 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is ORNIAOKDOMMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-4-8(16-3)11(15)10(12)9(6)7(14)5-13-2/h4,13,15H,5H2,1-3H3.
What are the key properties of 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone?
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 243.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117361222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).