5-naphthalen-1-yl-3H-2-benzofuran-1-one

C18H12O2 — CID 102047975

IUPAC5-naphthalen-1-yl-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3cccc4ccccc34)ccc21
InChIInChI=1S/C18H12O2/c19-18-17-9-8-13(10-14(17)11-20-18)16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2
InChIKeyMGZJFJRKKSTLNP-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.18
Rot. Bonds1

About 5-naphthalen-1-yl-3H-2-benzofuran-1-one

5-naphthalen-1-yl-3H-2-benzofuran-1-one (PubChem CID 102047975) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-naphthalen-1-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-naphthalen-1-yl-3H-2-benzofuran-1-one
PubChem CID102047975
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name5-naphthalen-1-yl-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3cccc4ccccc34)ccc21
InChIInChI=1S/C18H12O2/c19-18-17-9-8-13(10-14(17)11-20-18)16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2
InChIKeyMGZJFJRKKSTLNP-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
1-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
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1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
2-naphthalen-1-ylanthracene
CID 2748705
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
5-(1-oxo-3H-2-benzofuran-5-yl)-1-benzothiophene-2-carbaldehyde
CID 89427851
3H-2-benzofuran-1-one;ethane
CID 90991348
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
2-phenanthren-1-ylfluoren-9-one
CID 90732038
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-3H-2-benzofuran-1-one?
The IUPAC name of 5-naphthalen-1-yl-3H-2-benzofuran-1-one (CID 102047975) is 5-naphthalen-1-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-naphthalen-1-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 5-naphthalen-1-yl-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3cccc4ccccc34)ccc21.
What is the InChIKey of 5-naphthalen-1-yl-3H-2-benzofuran-1-one?
The InChIKey is MGZJFJRKKSTLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-18-17-9-8-13(10-14(17)11-20-18)16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2.
What are the key properties of 5-naphthalen-1-yl-3H-2-benzofuran-1-one?
5-naphthalen-1-yl-3H-2-benzofuran-1-one has a molecular weight of 260.29 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 102047975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).