1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone

C20H24O7 — CID 101440940

IUPAC1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
SMILESCOCOc1cc(OC)c(C(=O)COCc2ccccc2)c(OCOC)c1
InChIInChI=1S/C20H24O7/c1-22-13-26-16-9-18(24-3)20(19(10-16)27-14-23-2)17(21)12-25-11-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyKGNRMVHLEXFUQV-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.06
Rot. Bonds12

About 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone

1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone (PubChem CID 101440940) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
PubChem CID101440940
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
SMILESCOCOc1cc(OC)c(C(=O)COCc2ccccc2)c(OCOC)c1
InChIInChI=1S/C20H24O7/c1-22-13-26-16-9-18(24-3)20(19(10-16)27-14-23-2)17(21)12-25-11-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyKGNRMVHLEXFUQV-UHFFFAOYSA-N
XLogP3.06
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.06
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-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium
CID 25138447
1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
CID 146011151
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
2-(2-ethoxyphenoxy)-1-(2,4,6-trimethoxyphenyl)ethanone
CID 2105953
(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone (CID 101440940) is 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone is COCOc1cc(OC)c(C(=O)COCc2ccccc2)c(OCOC)c1.
What is the InChIKey of 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone?
The InChIKey is KGNRMVHLEXFUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O7/c1-22-13-26-16-9-18(24-3)20(19(10-16)27-14-23-2)17(21)12-25-11-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3.
What are the key properties of 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone?
1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone has a molecular weight of 376.41 g/mol, XLogP of 3.06, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone is sourced from PubChem (CID 101440940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).