2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone

C10H12O4 — CID 140768864

IUPAC2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cccc(C(=O)CO)c1
InChIInChI=1S/C10H12O4/c1-13-7-14-9-4-2-3-8(5-9)10(12)6-11/h2-5,11H,6-7H2,1H3
InChIKeyXYOARIDGICARFR-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.84
Rot. Bonds5

About 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone

2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone (PubChem CID 140768864) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
PubChem CID140768864
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cccc(C(=O)CO)c1
InChIInChI=1S/C10H12O4/c1-13-7-14-9-4-2-3-8(5-9)10(12)6-11/h2-5,11H,6-7H2,1H3
InChIKeyXYOARIDGICARFR-UHFFFAOYSA-N
XLogP0.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
ethyl 4-[3-(methoxymethoxy)phenyl]-4-oxobutanoate
CID 175964150
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
methyl 3-ethoxybenzoate
CID 3267781
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(2-methoxyethoxymethoxy)phenyl]butane-1,4-dione
CID 56840387
3-[3-(3-methoxypropylsulfanyl)propoxy]benzoic acid
CID 63857268

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone (CID 140768864) is 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone is COCOc1cccc(C(=O)CO)c1.
What is the InChIKey of 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone?
The InChIKey is XYOARIDGICARFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-7-14-9-4-2-3-8(5-9)10(12)6-11/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone?
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone has a molecular weight of 196.20 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 140768864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).