methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate

C20H14O4 — CID 101474139

IUPACmethyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1ccc(O)c2oc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C20H14O4/c1-23-20(22)15-8-9-17(21)19-16(15)11-18(24-19)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,21H,1H3
InChIKeyJGEGRDNYRAWWJQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.75
Rot. Bonds2

About methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate

methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate (PubChem CID 101474139) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate
PubChem CID101474139
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Namemethyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1ccc(O)c2oc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C20H14O4/c1-23-20(22)15-8-9-17(21)19-16(15)11-18(24-19)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,21H,1H3
InChIKeyJGEGRDNYRAWWJQ-UHFFFAOYSA-N
XLogP4.75
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040
methyl 2-(3-nitrophenyl)-1-benzofuran-7-carboxylate
CID 70421121
methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate
CID 156693356
methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
4-naphthalen-2-yl-2-(1-trimethylsilyloxyethenyl)phenol
CID 70171696
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
5-O-tert-butyl 2-O-methyl 3-hydroxy-4-naphthalen-2-ylfuran-2,5-dicarboxylate
CID 101142249
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate (CID 101474139) is methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate is COC(=O)c1ccc(O)c2oc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate?
The InChIKey is JGEGRDNYRAWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-23-20(22)15-8-9-17(21)19-16(15)11-18(24-19)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,21H,1H3.
What are the key properties of methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate?
methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate is sourced from PubChem (CID 101474139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).