[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate

C14H14O5 — CID 70288706

IUPAC[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
SMILESCOCOc1cc2ccccc2cc1OC(=O)OC
InChIInChI=1S/C14H14O5/c1-16-9-18-12-7-10-5-3-4-6-11(10)8-13(12)19-14(15)17-2/h3-8H,9H2,1-2H3
InChIKeyMKFKVZYOCCYBHJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.97
Rot. Bonds4

About [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate

[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate (PubChem CID 70288706) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
PubChem CID70288706
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
SMILESCOCOc1cc2ccccc2cc1OC(=O)OC
InChIInChI=1S/C14H14O5/c1-16-9-18-12-7-10-5-3-4-6-11(10)8-13(12)19-14(15)17-2/h3-8H,9H2,1-2H3
InChIKeyMKFKVZYOCCYBHJ-UHFFFAOYSA-N
XLogP2.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate
CID 70288635
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
(2-ethylphenyl) methyl carbonate
CID 67179071
[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane
CID 87316581
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
CID 171367812
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate
CID 10869343
(2-iodophenyl) methyl carbonate
CID 102340361
[2-(bromomethyl)phenyl] methyl carbonate
CID 122649168

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate?
The IUPAC name of [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate (CID 70288706) is [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate.
What is the SMILES notation for [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate?
The canonical SMILES for [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate is COCOc1cc2ccccc2cc1OC(=O)OC.
What is the InChIKey of [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate?
The InChIKey is MKFKVZYOCCYBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-16-9-18-12-7-10-5-3-4-6-11(10)8-13(12)19-14(15)17-2/h3-8H,9H2,1-2H3.
What are the key properties of [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate?
[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate has a molecular weight of 262.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate is sourced from PubChem (CID 70288706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).