(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one

C20H16O2 — CID 125478546

IUPAC(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
SMILESCc1ccc([C@]2(C)OC(=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C20H16O2/c1-13-11-12-18(15-8-4-3-7-14(13)15)20(2)17-10-6-5-9-16(17)19(21)22-20/h3-12H,1-2H3/t20-/m1/s1
InChIKeyRNGGFFNNEPPTFX-HXUWFJFHSA-N
MW288.35 g/mol
LogP4.58
Rot. Bonds1

About (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one

(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one (PubChem CID 125478546) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
PubChem CID125478546
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
SMILESCc1ccc([C@]2(C)OC(=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C20H16O2/c1-13-11-12-18(15-8-4-3-7-14(13)15)20(2)17-10-6-5-9-16(17)19(21)22-20/h3-12H,1-2H3/t20-/m1/s1
InChIKeyRNGGFFNNEPPTFX-HXUWFJFHSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
3,3-bis(2-amino-3,4-dimethylphenyl)-2-benzofuran-1-one
CID 21226353
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
3-(1-benzothiophen-2-yl)-3-methyl-2-benzofuran-1-one
CID 13004758
3,3-bis(4-amino-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 70116020
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
1,1,3,3,6-pentamethylphenalen-2-one
CID 177264548
3,3-bis(4-amino-3,5-dimethylphenyl)-2-benzofuran-1-one
CID 18624417
3,3-bis(4-hydroxy-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 22946616
5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one
CID 10473670
6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde
CID 170415482
3-(3-(18F)fluoro-4-hydroxynaphthalen-1-yl)-3-(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71556089

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one?
The IUPAC name of (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one (CID 125478546) is (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one is Cc1ccc([C@]2(C)OC(=O)c3ccccc32)c2ccccc12.
What is the InChIKey of (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one?
The InChIKey is RNGGFFNNEPPTFX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16O2/c1-13-11-12-18(15-8-4-3-7-14(13)15)20(2)17-10-6-5-9-16(17)19(21)22-20/h3-12H,1-2H3/t20-/m1/s1.
What are the key properties of (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one?
(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one is sourced from PubChem (CID 125478546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).