[3-(dimethoxymethyl)-5-methoxyphenyl] formate

C11H14O5 — CID 22948034

IUPAC[3-(dimethoxymethyl)-5-methoxyphenyl] formate
SMILESCOc1cc(OC=O)cc(C(OC)OC)c1
InChIInChI=1S/C11H14O5/c1-13-9-4-8(11(14-2)15-3)5-10(6-9)16-7-12/h4-7,11H,1-3H3
InChIKeyVHJLUAHEJZGPSL-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.52
Rot. Bonds6

About [3-(dimethoxymethyl)-5-methoxyphenyl] formate

[3-(dimethoxymethyl)-5-methoxyphenyl] formate (PubChem CID 22948034) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is [3-(dimethoxymethyl)-5-methoxyphenyl] formate.

Molecular Properties

Compound Name[3-(dimethoxymethyl)-5-methoxyphenyl] formate
PubChem CID22948034
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name[3-(dimethoxymethyl)-5-methoxyphenyl] formate
SMILESCOc1cc(OC=O)cc(C(OC)OC)c1
InChIInChI=1S/C11H14O5/c1-13-9-4-8(11(14-2)15-3)5-10(6-9)16-7-12/h4-7,11H,1-3H3
InChIKeyVHJLUAHEJZGPSL-UHFFFAOYSA-N
XLogP1.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
CID 126607837
(3,5-dimethoxy-4-methylphenyl) formate
CID 86657502
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
[4-(4-methoxyphenoxy)phenyl] formate
CID 88935611
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(4-aminophenyl) formate;4-methoxyaniline
CID 145416787
2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-oxopropanal
CID 58695400
(2,4-dimethoxyphenyl) formate
CID 11137749
(3,5-dimethoxyphenyl)phosphane
CID 23215298
lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide
CID 134894111
3,5-bis(dihydroxymethyl)benzoic acid;[3,5-bis(dihydroxymethyl)phenyl] formate;3-(dihydroxymethyl)-5-[hydroxy(methoxy)methyl]benzoic acid;hydroxy(dioxo)uranium;uranium
CID 160716869

Frequently Asked Questions

What is the IUPAC name of [3-(dimethoxymethyl)-5-methoxyphenyl] formate?
The IUPAC name of [3-(dimethoxymethyl)-5-methoxyphenyl] formate (CID 22948034) is [3-(dimethoxymethyl)-5-methoxyphenyl] formate.
What is the SMILES notation for [3-(dimethoxymethyl)-5-methoxyphenyl] formate?
The canonical SMILES for [3-(dimethoxymethyl)-5-methoxyphenyl] formate is COc1cc(OC=O)cc(C(OC)OC)c1.
What is the InChIKey of [3-(dimethoxymethyl)-5-methoxyphenyl] formate?
The InChIKey is VHJLUAHEJZGPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-13-9-4-8(11(14-2)15-3)5-10(6-9)16-7-12/h4-7,11H,1-3H3.
What are the key properties of [3-(dimethoxymethyl)-5-methoxyphenyl] formate?
[3-(dimethoxymethyl)-5-methoxyphenyl] formate has a molecular weight of 226.23 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethoxymethyl)-5-methoxyphenyl] formate is sourced from PubChem (CID 22948034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).