methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate

C19H14O4 — CID 19030293

IUPACmethyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
SMILESCOC(=O)c1cc(O)c2c(ccc3oc4ccccc4c32)c1C
InChIInChI=1S/C19H14O4/c1-10-11-7-8-16-18(12-5-3-4-6-15(12)23-16)17(11)14(20)9-13(10)19(21)22-2/h3-9,20H,1-2H3
InChIKeyVDLLRUZGCJGJFV-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.54
Rot. Bonds1

About methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate

methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate (PubChem CID 19030293) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
PubChem CID19030293
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Namemethyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
SMILESCOC(=O)c1cc(O)c2c(ccc3oc4ccccc4c32)c1C
InChIInChI=1S/C19H14O4/c1-10-11-7-8-16-18(12-5-3-4-6-15(12)23-16)17(11)14(20)9-13(10)19(21)22-2/h3-9,20H,1-2H3
InChIKeyVDLLRUZGCJGJFV-UHFFFAOYSA-N
XLogP4.54
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate?
The IUPAC name of methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate (CID 19030293) is methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate?
The canonical SMILES for methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate is COC(=O)c1cc(O)c2c(ccc3oc4ccccc4c32)c1C.
What is the InChIKey of methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate?
The InChIKey is VDLLRUZGCJGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-10-11-7-8-16-18(12-5-3-4-6-15(12)23-16)17(11)14(20)9-13(10)19(21)22-2/h3-9,20H,1-2H3.
What are the key properties of methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate?
methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate is sourced from PubChem (CID 19030293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).