1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one

C10H11ClO3 — CID 83886474

IUPAC1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
SMILESCOc1cc(Cl)c(O)c(CC(C)=O)c1
InChIInChI=1S/C10H11ClO3/c1-6(12)3-7-4-8(14-2)5-9(11)10(7)13/h4-5,13H,3H2,1-2H3
InChIKeyZFGMXCUTMIZKOK-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.19
Rot. Bonds3

About 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one

1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one (PubChem CID 83886474) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
PubChem CID83886474
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
SMILESCOc1cc(Cl)c(O)c(CC(C)=O)c1
InChIInChI=1S/C10H11ClO3/c1-6(12)3-7-4-8(14-2)5-9(11)10(7)13/h4-5,13H,3H2,1-2H3
InChIKeyZFGMXCUTMIZKOK-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
3-(3-chloro-2-hydroxy-5-methoxyphenyl)propanal
CID 117305889
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
2-chloro-6-[(hydroxyamino)methyl]-4-methoxyphenol
CID 117292196
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
2-chloro-6-(isocyanatomethyl)-4-methoxyphenol
CID 117304576
1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
CID 117287584
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
CID 84792455
2-chloro-4-methoxy-6-methylphenol
CID 122163446
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one (CID 83886474) is 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one is COc1cc(Cl)c(O)c(CC(C)=O)c1.
What is the InChIKey of 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one?
The InChIKey is ZFGMXCUTMIZKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(12)3-7-4-8(14-2)5-9(11)10(7)13/h4-5,13H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one?
1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one has a molecular weight of 214.65 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one is sourced from PubChem (CID 83886474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).