5-(naphthalen-1-yloxymethyl)furan-2-carboxylate

C16H11O4- — CID 3596350

IUPAC5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
SMILESO=C([O-])c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18)/p-1
InChIKeyDVUUCZPXJSZJNK-UHFFFAOYSA-M
MW267.26 g/mol
LogP2.38
Rot. Bonds4

About 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate

5-(naphthalen-1-yloxymethyl)furan-2-carboxylate (PubChem CID 3596350) has the molecular formula C16H11O4- and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
PubChem CID3596350
Molecular FormulaC16H11O4-
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
SMILESO=C([O-])c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18)/p-1
InChIKeyDVUUCZPXJSZJNK-UHFFFAOYSA-M
XLogP2.38
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412834
5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574689
5-(naphthalen-1-yloxymethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19412861
N-(1-methylbenzimidazol-2-yl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412863
N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412890
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19405995

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate (CID 3596350) is 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate is O=C([O-])c1ccc(COc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate?
The InChIKey is DVUUCZPXJSZJNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18)/p-1.
What are the key properties of 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate?
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate has a molecular weight of 267.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)furan-2-carboxylate is sourced from PubChem (CID 3596350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).