(3,4-dimethoxyphenyl) methyl carbonate

C10H12O5 — CID 175298051

IUPAC(3,4-dimethoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H12O5/c1-12-8-5-4-7(6-9(8)13-2)15-10(11)14-3/h4-6H,1-3H3
InChIKeyCRHUNTLFIVPMCY-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.85
Rot. Bonds3

About (3,4-dimethoxyphenyl) methyl carbonate

(3,4-dimethoxyphenyl) methyl carbonate (PubChem CID 175298051) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl) methyl carbonate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl) methyl carbonate
PubChem CID175298051
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(3,4-dimethoxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H12O5/c1-12-8-5-4-7(6-9(8)13-2)15-10(11)14-3/h4-6H,1-3H3
InChIKeyCRHUNTLFIVPMCY-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

(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate
CID 88541783
(3,4-dimethoxyphenyl) acetate
CID 593001
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
tris(3,4-dimethoxyphenyl) borate
CID 67306182
(3,4-dimethoxyphenyl) nitroformate
CID 57088583
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
(3,4-dimethoxyphenyl) 3-pyrrol-1-ylbutanoate
CID 71987436

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl) methyl carbonate?
The IUPAC name of (3,4-dimethoxyphenyl) methyl carbonate (CID 175298051) is (3,4-dimethoxyphenyl) methyl carbonate.
What is the SMILES notation for (3,4-dimethoxyphenyl) methyl carbonate?
The canonical SMILES for (3,4-dimethoxyphenyl) methyl carbonate is COC(=O)Oc1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl) methyl carbonate?
The InChIKey is CRHUNTLFIVPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-12-8-5-4-7(6-9(8)13-2)15-10(11)14-3/h4-6H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl) methyl carbonate?
(3,4-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 (3,4-dimethoxyphenyl) methyl carbonate is sourced from PubChem (CID 175298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).