dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate

C24H18O6 — CID 73293692

IUPACdimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
SMILESCOC(=O)c1c(O)ccc(-c2cccc3cccc(-c4ccco4)c23)c1C(=O)OC
InChIInChI=1S/C24H18O6/c1-28-23(26)21-16(11-12-18(25)22(21)24(27)29-2)15-8-3-6-14-7-4-9-17(20(14)15)19-10-5-13-30-19/h3-13,25H,1-2H3
InChIKeyLBVBDXFWQHCGOH-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.05
Rot. Bonds4

About dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate

dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate (PubChem CID 73293692) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
PubChem CID73293692
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Namedimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
SMILESCOC(=O)c1c(O)ccc(-c2cccc3cccc(-c4ccco4)c23)c1C(=O)OC
InChIInChI=1S/C24H18O6/c1-28-23(26)21-16(11-12-18(25)22(21)24(27)29-2)15-8-3-6-14-7-4-9-17(20(14)15)19-10-5-13-30-19/h3-13,25H,1-2H3
InChIKeyLBVBDXFWQHCGOH-UHFFFAOYSA-N
XLogP5.05
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
CID 10758019
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
methyl 2-fluoro-6-(furan-2-yl)-3-nitrobenzoate
CID 168526633
methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
CID 102392505
methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
CID 102014884
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate (CID 73293692) is dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate is COC(=O)c1c(O)ccc(-c2cccc3cccc(-c4ccco4)c23)c1C(=O)OC.
What is the InChIKey of dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate?
The InChIKey is LBVBDXFWQHCGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-28-23(26)21-16(11-12-18(25)22(21)24(27)29-2)15-8-3-6-14-7-4-9-17(20(14)15)19-10-5-13-30-19/h3-13,25H,1-2H3.
What are the key properties of dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate?
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate has a molecular weight of 402.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate is sourced from PubChem (CID 73293692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).