1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone

C12H16O6 — CID 156853152

IUPAC1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(O)cc(OCOC)c1C(C)=O
InChIInChI=1S/C12H16O6/c1-8(13)12-10(17-6-15-2)4-9(14)5-11(12)18-7-16-3/h4-5,14H,6-7H2,1-3H3
InChIKeyCMWAOCYXFOQOIV-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.56
Rot. Bonds7

About 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone

1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone (PubChem CID 156853152) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
PubChem CID156853152
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(O)cc(OCOC)c1C(C)=O
InChIInChI=1S/C12H16O6/c1-8(13)12-10(17-6-15-2)4-9(14)5-11(12)18-7-16-3/h4-5,14H,6-7H2,1-3H3
InChIKeyCMWAOCYXFOQOIV-UHFFFAOYSA-N
XLogP1.56
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 102394443
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873
1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone
CID 11794855
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
CID 168863304
1-[3-hydroxy-4-(methoxymethoxy)phenyl]propan-2-one
CID 154190128

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone (CID 156853152) is 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone is COCOc1cc(O)cc(OCOC)c1C(C)=O.
What is the InChIKey of 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone?
The InChIKey is CMWAOCYXFOQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-8(13)12-10(17-6-15-2)4-9(14)5-11(12)18-7-16-3/h4-5,14H,6-7H2,1-3H3.
What are the key properties of 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone?
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone has a molecular weight of 256.25 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 156853152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).