bis(2-methoxyphenyl) carbonate

C15H14O5 — CID 11104

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IUPACbis(2-methoxyphenyl) carbonate
SMILESCOc1ccccc1OC(=O)Oc1ccccc1OC
InChIInChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
InChIKeyORUJFMPWKPVXLZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.28
Rot. Bonds4

About bis(2-methoxyphenyl) carbonate

bis(2-methoxyphenyl) carbonate (PubChem CID 11104) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is bis(2-methoxyphenyl) carbonate.

Molecular Properties

Compound Namebis(2-methoxyphenyl) carbonate
PubChem CID11104
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namebis(2-methoxyphenyl) carbonate
SMILESCOc1ccccc1OC(=O)Oc1ccccc1OC
InChIInChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
InChIKeyORUJFMPWKPVXLZ-UHFFFAOYSA-N
XLogP3.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

Veratrole
CID 7043
Diphenyl carbonate
CID 7597
Guaiacyl acetate
CID 61155
Guaiacol propionate
CID 348502
Catechol diacetate
CID 12479
Guaiacol isobutyrate
CID 836904
Guaiacol butyrate
CID 77756
Dibenzo-18-crown-6
CID 26541
1,3-Benzodioxol-2-one
CID 75112
1,2-Bis(2-methoxyphenoxy)ethane
CID 68378
2-Methoxyphenyl phenyl ether
CID 248758
2,2-dimethyl-2H-1,3-benzodioxole
CID 285869

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyphenyl) carbonate?
The IUPAC name of bis(2-methoxyphenyl) carbonate (CID 11104) is bis(2-methoxyphenyl) carbonate.
What is the SMILES notation for bis(2-methoxyphenyl) carbonate?
The canonical SMILES for bis(2-methoxyphenyl) carbonate is COc1ccccc1OC(=O)Oc1ccccc1OC.
What is the InChIKey of bis(2-methoxyphenyl) carbonate?
The InChIKey is ORUJFMPWKPVXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3.
What are the key properties of bis(2-methoxyphenyl) carbonate?
bis(2-methoxyphenyl) carbonate has a molecular weight of 274.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyphenyl) carbonate is sourced from PubChem (CID 11104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).