3-(naphthalen-1-ylmethyl)-1-benzofuran

C19H14O — CID 132539369

IUPAC3-(naphthalen-1-ylmethyl)-1-benzofuran
SMILESc1ccc2c(Cc3coc4ccccc34)cccc2c1
InChIInChI=1S/C19H14O/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-20-19-11-4-3-10-18(16)19/h1-11,13H,12H2
InChIKeyCYFQSDKUNHYVKA-UHFFFAOYSA-N
MW258.32 g/mol
LogP5.18
Rot. Bonds2

About 3-(naphthalen-1-ylmethyl)-1-benzofuran

3-(naphthalen-1-ylmethyl)-1-benzofuran (PubChem CID 132539369) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-1-benzofuran.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-1-benzofuran
PubChem CID132539369
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name3-(naphthalen-1-ylmethyl)-1-benzofuran
SMILESc1ccc2c(Cc3coc4ccccc34)cccc2c1
InChIInChI=1S/C19H14O/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-20-19-11-4-3-10-18(16)19/h1-11,13H,12H2
InChIKeyCYFQSDKUNHYVKA-UHFFFAOYSA-N
XLogP5.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-1-benzofuran?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-1-benzofuran (CID 132539369) is 3-(naphthalen-1-ylmethyl)-1-benzofuran.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-1-benzofuran?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-1-benzofuran is c1ccc2c(Cc3coc4ccccc34)cccc2c1.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-1-benzofuran?
The InChIKey is CYFQSDKUNHYVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-20-19-11-4-3-10-18(16)19/h1-11,13H,12H2.
What are the key properties of 3-(naphthalen-1-ylmethyl)-1-benzofuran?
3-(naphthalen-1-ylmethyl)-1-benzofuran has a molecular weight of 258.32 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-1-benzofuran is sourced from PubChem (CID 132539369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).