methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate

C20H14O3 — CID 71059270

IUPACmethyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(-c2cc3ccccc3o2)ccc2ccccc12
InChIInChI=1S/C20H14O3/c1-22-20(21)19-15-8-4-2-6-13(15)10-11-16(19)18-12-14-7-3-5-9-17(14)23-18/h2-12H,1H3
InChIKeyFOOKNAOKJBVCEJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP5.04
Rot. Bonds2

About methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate

methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate (PubChem CID 71059270) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
PubChem CID71059270
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(-c2cc3ccccc3o2)ccc2ccccc12
InChIInChI=1S/C20H14O3/c1-22-20(21)19-15-8-4-2-6-13(15)10-11-16(19)18-12-14-7-3-5-9-17(14)23-18/h2-12H,1H3
InChIKeyFOOKNAOKJBVCEJ-UHFFFAOYSA-N
XLogP5.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyren-1-yl-1-benzofuran
CID 59390386
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl benzo[e][1,3]benzoxazole-2-carboxylate
CID 83387453
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
2-[6-(1-benzofuran-2-yl)-3,8-bis(4-methoxyphenyl)pyren-1-yl]-1-benzofuran
CID 59390327
6-(1-benzofuran-2-yl)-2-(3-methoxypropyl)benzo[de]isoquinoline-1,3-dione
CID 102465542
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate?
The IUPAC name of methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate (CID 71059270) is methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate is COC(=O)c1c(-c2cc3ccccc3o2)ccc2ccccc12.
What is the InChIKey of methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate?
The InChIKey is FOOKNAOKJBVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-22-20(21)19-15-8-4-2-6-13(15)10-11-16(19)18-12-14-7-3-5-9-17(14)23-18/h2-12H,1H3.
What are the key properties of methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate?
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 71059270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).