methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate

C16H14O4 — CID 10869343

IUPACmethyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate
SMILESCOCOc1ccc2ccccc2c1C#CC(=O)OC
InChIInChI=1S/C16H14O4/c1-18-11-20-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)19-2/h3-7,9H,11H2,1-2H3
InChIKeyNCZGPTQPTIVHTM-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.35
Rot. Bonds3

About methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate

methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate (PubChem CID 10869343) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate
PubChem CID10869343
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namemethyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate
SMILESCOCOc1ccc2ccccc2c1C#CC(=O)OC
InChIInChI=1S/C16H14O4/c1-18-11-20-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)19-2/h3-7,9H,11H2,1-2H3
InChIKeyNCZGPTQPTIVHTM-UHFFFAOYSA-N
XLogP2.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one
CID 102165233
methyl 3-[5-chloro-2-(methoxymethoxy)phenyl]prop-2-ynoate
CID 71524370
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
methyl 3-[2,4-bis(methoxymethoxy)phenyl]prop-2-ynoate
CID 134859376
2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
CID 139257429
tert-butyl 3-[2-(methoxymethoxy)phenyl]prop-2-ynoate
CID 102577827
S-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methyl] ethanethioate
CID 101234267
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
CID 70288706
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
1-hepta-1,6-diynyl-2-methoxynaphthalene
CID 46845898
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate?
The IUPAC name of methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate (CID 10869343) is methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate.
What is the SMILES notation for methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate?
The canonical SMILES for methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate is COCOc1ccc2ccccc2c1C#CC(=O)OC.
What is the InChIKey of methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate?
The InChIKey is NCZGPTQPTIVHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-18-11-20-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)19-2/h3-7,9H,11H2,1-2H3.
What are the key properties of methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate?
methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate has a molecular weight of 270.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(methoxymethoxy)naphthalen-1-yl]prop-2-ynoate is sourced from PubChem (CID 10869343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).