methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate

C17H14O4 — CID 890635

IUPACmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C17H14O4/c1-19-17(18)16-9-8-15(21-16)11-20-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3
InChIKeyJRNFUWKVSHFCQA-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.80
Rot. Bonds4

About methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate

methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate (PubChem CID 890635) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
PubChem CID890635
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Namemethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C17H14O4/c1-19-17(18)16-9-8-15(21-16)11-20-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3
InChIKeyJRNFUWKVSHFCQA-UHFFFAOYSA-N
XLogP3.80
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate (CID 890635) is methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate is COC(=O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The InChIKey is JRNFUWKVSHFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-17(18)16-9-8-15(21-16)11-20-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3.
What are the key properties of methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate is sourced from PubChem (CID 890635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).