3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one

C15H16O2 — CID 134372965

IUPAC3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
SMILESCc1ccc2c3c(oc2c1)CC(C)(C)CC3=O
InChIInChI=1S/C15H16O2/c1-9-4-5-10-12(6-9)17-13-8-15(2,3)7-11(16)14(10)13/h4-6H,7-8H2,1-3H3
InChIKeyWNDAVEWPWJMXNJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.90
Rot. Bonds

About 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one

3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one (PubChem CID 134372965) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one.

Molecular Properties

Compound Name3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
PubChem CID134372965
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
SMILESCc1ccc2c3c(oc2c1)CC(C)(C)CC3=O
InChIInChI=1S/C15H16O2/c1-9-4-5-10-12(6-9)17-13-8-15(2,3)7-11(16)14(10)13/h4-6H,7-8H2,1-3H3
InChIKeyWNDAVEWPWJMXNJ-UHFFFAOYSA-N
XLogP3.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856201
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 997731
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2937245
6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one
CID 14293193
7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one
CID 71571595
2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 2355048
2,7-dimethylchromen-4-one
CID 2343140
trifluoroborane;3,3,6-trimethyl-2,4-dihydrochromeno[3,4-b]indol-7-ium-1-one;fluoride
CID 160764098
8-methylchromeno[4,3-b]pyridin-5-one
CID 159288249
3,6,6-trimethyl-4-oxo-N-phenyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 972766

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one?
The IUPAC name of 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one (CID 134372965) is 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one.
What is the SMILES notation for 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one?
The canonical SMILES for 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one is Cc1ccc2c3c(oc2c1)CC(C)(C)CC3=O.
What is the InChIKey of 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one?
The InChIKey is WNDAVEWPWJMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-4-5-10-12(6-9)17-13-8-15(2,3)7-11(16)14(10)13/h4-6H,7-8H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one?
3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one has a molecular weight of 228.29 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one is sourced from PubChem (CID 134372965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).