7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one

C11H10O2 — CID 86181568

IUPAC7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one
SMILESCC12CC(=O)C1Oc1ccccc12
InChIInChI=1S/C11H10O2/c1-11-6-8(12)10(11)13-9-5-3-2-4-7(9)11/h2-5,10H,6H2,1H3
InChIKeyKJLKIPVZJGMCGO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.68
Rot. Bonds

About 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one

7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one (PubChem CID 86181568) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one.

Molecular Properties

Compound Name7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one
PubChem CID86181568
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one
SMILESCC12CC(=O)C1Oc1ccccc12
InChIInChI=1S/C11H10O2/c1-11-6-8(12)10(11)13-9-5-3-2-4-7(9)11/h2-5,10H,6H2,1H3
InChIKeyKJLKIPVZJGMCGO-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one
CID 134849289
(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol
CID 129403969
6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
CID 54113383
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
4,4-dimethyl-2-phenyl-2,3-dihydrochromene
CID 54282692
2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
CID 12733487
2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
CID 12733490
1-(3,3-dimethyl-2H-1-benzofuran-2-yl)pyrrolidine;methanesulfonic acid
CID 88801638
(4R)-4-ethyl-4-methyl-3H-chromen-2-one
CID 101434564
(4aR,9bS)-9b-phenyl-1,3,4,4a-tetrahydrodibenzofuran-2-one
CID 135067127
N,N,9-trimethylxanthen-9-amine
CID 68833214
(3,3-dimethyl-2H-1-benzofuran-2-yl) acetate
CID 57171732

Frequently Asked Questions

What is the IUPAC name of 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one?
The IUPAC name of 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one (CID 86181568) is 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one.
What is the SMILES notation for 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one?
The canonical SMILES for 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one is CC12CC(=O)C1Oc1ccccc12.
What is the InChIKey of 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one?
The InChIKey is KJLKIPVZJGMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-11-6-8(12)10(11)13-9-5-3-2-4-7(9)11/h2-5,10H,6H2,1H3.
What are the key properties of 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one?
7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one is sourced from PubChem (CID 86181568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).