9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one

C14H16O2 — CID 86235994

IUPAC9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one
SMILESCC1(C)CCC(=O)c2ccc3c(c21)OCC3
InChIInChI=1S/C14H16O2/c1-14(2)7-5-11(15)10-4-3-9-6-8-16-13(9)12(10)14/h3-4H,5-8H2,1-2H3
InChIKeyVFCPSHDRCMRWJQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.88
Rot. Bonds

About 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one

9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one (PubChem CID 86235994) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one.

Molecular Properties

Compound Name9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one
PubChem CID86235994
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one
SMILESCC1(C)CCC(=O)c2ccc3c(c21)OCC3
InChIInChI=1S/C14H16O2/c1-14(2)7-5-11(15)10-4-3-9-6-8-16-13(9)12(10)14/h3-4H,5-8H2,1-2H3
InChIKeyVFCPSHDRCMRWJQ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
CID 142087326
2,2-dimethyl-3,7,8,9-tetrahydrofuro[3,2-i][1]benzoxepin-6-one
CID 43154982
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
3,8-dihydro-2H-furo[3,2-g]indole-6,7-dione
CID 170552190
2,3,7,8-tetrahydrofuro[3,2-g]indol-6-one
CID 96630355
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743920
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
4,4-dimethyl-7-sulfanyl-2,3-dihydronaphthalen-1-one
CID 19034432
5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one?
The IUPAC name of 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one (CID 86235994) is 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one.
What is the SMILES notation for 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one?
The canonical SMILES for 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one is CC1(C)CCC(=O)c2ccc3c(c21)OCC3.
What is the InChIKey of 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one?
The InChIKey is VFCPSHDRCMRWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-14(2)7-5-11(15)10-4-3-9-6-8-16-13(9)12(10)14/h3-4H,5-8H2,1-2H3.
What are the key properties of 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one?
9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one has a molecular weight of 216.28 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,3,7,8-tetrahydrobenzo[g][1]benzofuran-6-one is sourced from PubChem (CID 86235994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).