2-methylnaphtho[1,2-b][1]benzofuran

C17H12O — CID 134862619

IUPAC2-methylnaphtho[1,2-b][1]benzofuran
SMILESCc1ccc2ccc3c4ccccc4oc3c2c1
InChIInChI=1S/C17H12O/c1-11-6-7-12-8-9-14-13-4-2-3-5-16(13)18-17(14)15(12)10-11/h2-10H,1H3
InChIKeyPXNVXORSWYQZCN-UHFFFAOYSA-N
MW232.28 g/mol
LogP5.05
Rot. Bonds

About 2-methylnaphtho[1,2-b][1]benzofuran

2-methylnaphtho[1,2-b][1]benzofuran (PubChem CID 134862619) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name2-methylnaphtho[1,2-b][1]benzofuran
PubChem CID134862619
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name2-methylnaphtho[1,2-b][1]benzofuran
SMILESCc1ccc2ccc3c4ccccc4oc3c2c1
InChIInChI=1S/C17H12O/c1-11-6-7-12-8-9-14-13-4-2-3-5-16(13)18-17(14)15(12)10-11/h2-10H,1H3
InChIKeyPXNVXORSWYQZCN-UHFFFAOYSA-N
XLogP5.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.28
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 2-methylnaphtho[1,2-b][1]benzofuran (CID 134862619) is 2-methylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 2-methylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 2-methylnaphtho[1,2-b][1]benzofuran is Cc1ccc2ccc3c4ccccc4oc3c2c1.
What is the InChIKey of 2-methylnaphtho[1,2-b][1]benzofuran?
The InChIKey is PXNVXORSWYQZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c1-11-6-7-12-8-9-14-13-4-2-3-5-16(13)18-17(14)15(12)10-11/h2-10H,1H3.
What are the key properties of 2-methylnaphtho[1,2-b][1]benzofuran?
2-methylnaphtho[1,2-b][1]benzofuran has a molecular weight of 232.28 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 134862619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).