(2,3-dimethoxyphenyl) methyl carbonate

C10H12O5 — CID 19833381

IUPAC(2,3-dimethoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1cccc(OC)c1OC
InChIInChI=1S/C10H12O5/c1-12-7-5-4-6-8(9(7)13-2)15-10(11)14-3/h4-6H,1-3H3
InChIKeyIEYKBXJERVPFEN-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.85
Rot. Bonds3

About (2,3-dimethoxyphenyl) methyl carbonate

(2,3-dimethoxyphenyl) methyl carbonate (PubChem CID 19833381) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl) methyl carbonate.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl) methyl carbonate
PubChem CID19833381
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(2,3-dimethoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1cccc(OC)c1OC
InChIInChI=1S/C10H12O5/c1-12-7-5-4-6-8(9(7)13-2)15-10(11)14-3/h4-6H,1-3H3
InChIKeyIEYKBXJERVPFEN-UHFFFAOYSA-N
XLogP1.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.85
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

methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-(2,3-dimethoxyphenoxy)propanoyl chloride
CID 82041771
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(2,3-dimethoxyphenyl) 2-phenoxyethyl carbonate
CID 175405129
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
(2,3-dimethoxyphenyl) 3,4,5-trihydroxybenzoate
CID 175496611
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
1-chloro-3-(2,3-dimethoxyphenoxy)butan-2-one
CID 112501721

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl) methyl carbonate?
The IUPAC name of (2,3-dimethoxyphenyl) methyl carbonate (CID 19833381) is (2,3-dimethoxyphenyl) methyl carbonate.
What is the SMILES notation for (2,3-dimethoxyphenyl) methyl carbonate?
The canonical SMILES for (2,3-dimethoxyphenyl) methyl carbonate is COC(=O)Oc1cccc(OC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl) methyl carbonate?
The InChIKey is IEYKBXJERVPFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-12-7-5-4-6-8(9(7)13-2)15-10(11)14-3/h4-6H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl) methyl carbonate?
(2,3-dimethoxyphenyl) methyl carbonate has a molecular weight of 212.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl) methyl carbonate is sourced from PubChem (CID 19833381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).