[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate

C10H12O6 — CID 129163738

IUPAC[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccccc1OC(O)OC
InChIInChI=1S/C10H12O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-6,9,11H,1-2H3
InChIKeyFIGUCFOVSMKGDC-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.13
Rot. Bonds4

About [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate

[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate (PubChem CID 129163738) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate
PubChem CID129163738
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccccc1OC(O)OC
InChIInChI=1S/C10H12O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-6,9,11H,1-2H3
InChIKeyFIGUCFOVSMKGDC-UHFFFAOYSA-N
XLogP1.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl) methyl carbonate
CID 102340361
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
(2-acetylphenyl) methyl carbonate
CID 14493761
(2-ethylphenyl) methyl carbonate
CID 67179071
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
[2-(bromomethyl)phenyl] methyl carbonate
CID 122649168
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate?
The IUPAC name of [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate (CID 129163738) is [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate.
What is the SMILES notation for [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate?
The canonical SMILES for [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate is COC(=O)Oc1ccccc1OC(O)OC.
What is the InChIKey of [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate?
The InChIKey is FIGUCFOVSMKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-6,9,11H,1-2H3.
What are the key properties of [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate?
[2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate has a molecular weight of 228.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(methoxy)methoxy]phenyl] methyl carbonate is sourced from PubChem (CID 129163738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).