1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone

C10H11ClO4 — CID 84693978

IUPAC1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
SMILESCOc1cc(O)c(C(C)=O)c(Cl)c1OC
InChIInChI=1S/C10H11ClO4/c1-5(12)8-6(13)4-7(14-2)10(15-3)9(8)11/h4,13H,1-3H3
InChIKeyVHGFHKHHBVKRHK-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone

1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone (PubChem CID 84693978) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
PubChem CID84693978
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
SMILESCOc1cc(O)c(C(C)=O)c(Cl)c1OC
InChIInChI=1S/C10H11ClO4/c1-5(12)8-6(13)4-7(14-2)10(15-3)9(8)11/h4,13H,1-3H3
InChIKeyVHGFHKHHBVKRHK-UHFFFAOYSA-N
XLogP2.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
CID 15345468
4-amino-4-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)butanoic acid
CID 117467969
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117406006
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone (CID 84693978) is 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone is COc1cc(O)c(C(C)=O)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone?
The InChIKey is VHGFHKHHBVKRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-5(12)8-6(13)4-7(14-2)10(15-3)9(8)11/h4,13H,1-3H3.
What are the key properties of 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone?
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone has a molecular weight of 230.65 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84693978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).