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

C14H20O7 — CID 10935461

IUPAC1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(OCOC)c(C(C)=O)c(OCOC)c1
InChIInChI=1S/C14H20O7/c1-10(15)14-12(20-8-17-3)5-11(19-7-16-2)6-13(14)21-9-18-4/h5-6H,7-9H2,1-4H3
InChIKeyVRDSPVUFCCVMCF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.84
Rot. Bonds10

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

1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone (PubChem CID 10935461) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
PubChem CID10935461
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(OCOC)c(C(C)=O)c(OCOC)c1
InChIInChI=1S/C14H20O7/c1-10(15)14-12(20-8-17-3)5-11(19-7-16-2)6-13(14)21-9-18-4/h5-6H,7-9H2,1-4H3
InChIKeyVRDSPVUFCCVMCF-UHFFFAOYSA-N
XLogP1.84
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 102394443
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473
1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
CID 101440940
3-[2,4,6-tris(methoxymethoxy)phenyl]propanal
CID 129220874
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone (CID 10935461) is 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone is COCOc1cc(OCOC)c(C(C)=O)c(OCOC)c1.
What is the InChIKey of 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone?
The InChIKey is VRDSPVUFCCVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O7/c1-10(15)14-12(20-8-17-3)5-11(19-7-16-2)6-13(14)21-9-18-4/h5-6H,7-9H2,1-4H3.
What are the key properties of 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone?
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone has a molecular weight of 300.31 g/mol, XLogP of 1.84, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 10935461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).