3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one

C19H16O2 — CID 132942999

IUPAC3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one
SMILESCC1(C)OC(=O)C2=C1C(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H16O2/c1-19(2)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17)18(20)21-19/h3-11,15H,1-2H3
InChIKeyGDAAYHQVDOXZCX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.92
Rot. Bonds1

About 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one

3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one (PubChem CID 132942999) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one
PubChem CID132942999
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one
SMILESCC1(C)OC(=O)C2=C1C(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H16O2/c1-19(2)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17)18(20)21-19/h3-11,15H,1-2H3
InChIKeyGDAAYHQVDOXZCX-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
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CID 1472122
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CID 91422174
(3S,3'S,4'S)-3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one?
The IUPAC name of 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one (CID 132942999) is 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one.
What is the SMILES notation for 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one?
The canonical SMILES for 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one is CC1(C)OC(=O)C2=C1C(c1ccccc1)c1ccccc12.
What is the InChIKey of 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one?
The InChIKey is GDAAYHQVDOXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-19(2)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17)18(20)21-19/h3-11,15H,1-2H3.
What are the key properties of 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one?
3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one is sourced from PubChem (CID 132942999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).