2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one

C19H16O2 — CID 102475019

IUPAC2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1oc2c(c1-c1cccc3ccccc13)C(=O)CCC2
InChIInChI=1S/C19H16O2/c1-12-18(19-16(20)10-5-11-17(19)21-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9H,5,10-11H2,1H3
InChIKeyNYJWPSMSTGSCRS-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.93
Rot. Bonds1

About 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one

2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 102475019) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID102475019
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1oc2c(c1-c1cccc3ccccc13)C(=O)CCC2
InChIInChI=1S/C19H16O2/c1-12-18(19-16(20)10-5-11-17(19)21-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9H,5,10-11H2,1H3
InChIKeyNYJWPSMSTGSCRS-UHFFFAOYSA-N
XLogP4.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-phenyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 102475018
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 596163
11-methyl-9,10-dihydro-8H-benzo[a]carbazol-7-one
CID 164675978
4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
CID 134969765
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene
CID 102073038
4-oxo-3-phenyl-6,7-dihydro-5H-1-benzofuran-2-carbaldehyde
CID 56647978
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
methyl 2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate
CID 30033226
2-(methoxymethyl)-3-naphthalen-1-yl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 16585174
3-naphthalen-1-yl-1H-azet-2-one
CID 175502748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one (CID 102475019) is 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1oc2c(c1-c1cccc3ccccc13)C(=O)CCC2.
What is the InChIKey of 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is NYJWPSMSTGSCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-12-18(19-16(20)10-5-11-17(19)21-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9H,5,10-11H2,1H3.
What are the key properties of 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one?
2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 276.33 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 102475019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).