[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate

C24H24O8 — CID 102340362

IUPAC[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate
SMILESCOCOc1ccccc1C#CC(=O)c1cccc(OC2CCCCO2)c1OC(=O)OC
InChIInChI=1S/C24H24O8/c1-27-16-30-20-10-4-3-8-17(20)13-14-19(25)18-9-7-11-21(23(18)32-24(26)28-2)31-22-12-5-6-15-29-22/h3-4,7-11,22H,5-6,12,15-16H2,1-2H3
InChIKeyHISVKQJRLZCVJC-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.95
Rot. Bonds7

About [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate

[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate (PubChem CID 102340362) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate
PubChem CID102340362
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate
SMILESCOCOc1ccccc1C#CC(=O)c1cccc(OC2CCCCO2)c1OC(=O)OC
InChIInChI=1S/C24H24O8/c1-27-16-30-20-10-4-3-8-17(20)13-14-19(25)18-9-7-11-21(23(18)32-24(26)28-2)31-22-12-5-6-15-29-22/h3-4,7-11,22H,5-6,12,15-16H2,1-2H3
InChIKeyHISVKQJRLZCVJC-UHFFFAOYSA-N
XLogP3.95
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate
CID 18328186
2-[2-(2-fluoroethynyl)phenoxy]oxane
CID 139891830
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
tert-butyl 3-[2-(methoxymethoxy)phenyl]prop-2-ynoate
CID 102577827
1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone
CID 151712508
2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140971142
(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
1-[2-bromo-3-[(2R)-oxan-2-yl]oxyphenoxy]propan-2-one
CID 124672649
1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)hex-2-yn-1-one
CID 121271672
2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140985567
2-(methoxyamino)-2-[2-(oxan-2-yloxy)phenyl]-N-oxoacetamide
CID 57244492
(2S)-2-(2-cyanophenoxy)-N-[(2S)-oxan-2-yl]oxypropanamide
CID 94817241

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate?
The IUPAC name of [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate (CID 102340362) is [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate.
What is the SMILES notation for [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate?
The canonical SMILES for [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate is COCOc1ccccc1C#CC(=O)c1cccc(OC2CCCCO2)c1OC(=O)OC.
What is the InChIKey of [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate?
The InChIKey is HISVKQJRLZCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O8/c1-27-16-30-20-10-4-3-8-17(20)13-14-19(25)18-9-7-11-21(23(18)32-24(26)28-2)31-22-12-5-6-15-29-22/h3-4,7-11,22H,5-6,12,15-16H2,1-2H3.
What are the key properties of [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate?
[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate has a molecular weight of 440.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate is sourced from PubChem (CID 102340362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).