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

C10H11ClO3 — CID 131010117

IUPAC1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
SMILESCOc1ccc(O)c(C(Cl)C(C)=O)c1
InChIInChI=1S/C10H11ClO3/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13/h3-5,10,13H,1-2H3
InChIKeyFSEOAWVEPHBYGS-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.27
Rot. Bonds3

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

1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one (PubChem CID 131010117) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
PubChem CID131010117
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
SMILESCOc1ccc(O)c(C(Cl)C(C)=O)c1
InChIInChI=1S/C10H11ClO3/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13/h3-5,10,13H,1-2H3
InChIKeyFSEOAWVEPHBYGS-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
CID 131170136
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
CID 130777645
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[2-(1-chloro-2-oxopropyl)-4-methoxyphenyl]acetonitrile
CID 131609432
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
methyl (3S)-3-amino-3-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropanoate
CID 171247271
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one (CID 131010117) is 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one is COc1ccc(O)c(C(Cl)C(C)=O)c1.
What is the InChIKey of 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one?
The InChIKey is FSEOAWVEPHBYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13/h3-5,10,13H,1-2H3.
What are the key properties of 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one?
1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one has a molecular weight of 214.65 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one is sourced from PubChem (CID 131010117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).