methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate

C14H12O5 — CID 22895779

IUPACmethyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
SMILESCOC(=O)Oc1ccc2c(C(=O)OC)cccc2c1
InChIInChI=1S/C14H12O5/c1-17-13(15)12-5-3-4-9-8-10(6-7-11(9)12)19-14(16)18-2/h3-8H,1-2H3
InChIKeySJZFTILRDITYKC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.77
Rot. Bonds2

About methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate

methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate (PubChem CID 22895779) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
PubChem CID22895779
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namemethyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
SMILESCOC(=O)Oc1ccc2c(C(=O)OC)cccc2c1
InChIInChI=1S/C14H12O5/c1-17-13(15)12-5-3-4-9-8-10(6-7-11(9)12)19-14(16)18-2/h3-8H,1-2H3
InChIKeySJZFTILRDITYKC-UHFFFAOYSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.77
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

methyl 6-sulfanyloxynaphthalene-1-carboxylate
CID 143499050
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate
CID 22895778
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 6-formamidonaphthalene-1-carboxylate
CID 168651733
methyl 6-(2,3-dihydroxypropylamino)naphthalene-1-carboxylate
CID 168594347
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
CID 163232995
methyl 2H-isoindole-4-carboxylate
CID 71773027
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate?
The IUPAC name of methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate (CID 22895779) is methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate is COC(=O)Oc1ccc2c(C(=O)OC)cccc2c1.
What is the InChIKey of methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate?
The InChIKey is SJZFTILRDITYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-17-13(15)12-5-3-4-9-8-10(6-7-11(9)12)19-14(16)18-2/h3-8H,1-2H3.
What are the key properties of methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate?
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate is sourced from PubChem (CID 22895779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).