2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene

C23H28O — CID 171500822

IUPAC2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene
SMILESCc1ccc2c(c1C)C(C)C(C)C2.Cc1ccc2oc(C)cc2c1
InChIInChI=1S/C13H18.C10H10O/c1-8-5-6-12-7-9(2)11(4)13(12)10(8)3;1-7-3-4-10-9(5-7)6-8(2)11-10/h5-6,9,11H,7H2,1-4H3;3-6H,1-2H3
InChIKeyTTZJYUTZUYCWFZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.65
Rot. Bonds

About 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene

2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene (PubChem CID 171500822) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene
PubChem CID171500822
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene
SMILESCc1ccc2c(c1C)C(C)C(C)C2.Cc1ccc2oc(C)cc2c1
InChIInChI=1S/C13H18.C10H10O/c1-8-5-6-12-7-9(2)11(4)13(12)10(8)3;1-7-3-4-10-9(5-7)6-8(2)11-10/h5-6,9,11H,7H2,1-4H3;3-6H,1-2H3
InChIKeyTTZJYUTZUYCWFZ-UHFFFAOYSA-N
XLogP6.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene with MolForge

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Related Compounds

(1R,2R)-1,2,6,7-tetramethyl-2,3-dihydro-1H-indene
CID 163924796
CID 159547054
CID 159547054
5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran
CID 12031580
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542686
5-isothiocyanato-2-methyl-1-benzofuran
CID 12047819
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(E)-3-(5-methyl-1-benzofuran-2-yl)prop-2-enoyl chloride
CID 10353432
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
ethane;2-methyl-1-benzofuran-5-thiol
CID 142617284
2-bromo-3,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 166474739

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene?
The IUPAC name of 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene (CID 171500822) is 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene is Cc1ccc2c(c1C)C(C)C(C)C2.Cc1ccc2oc(C)cc2c1.
What is the InChIKey of 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene?
The InChIKey is TTZJYUTZUYCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C10H10O/c1-8-5-6-12-7-9(2)11(4)13(12)10(8)3;1-7-3-4-10-9(5-7)6-8(2)11-10/h5-6,9,11H,7H2,1-4H3;3-6H,1-2H3.
What are the key properties of 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene?
2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene has a molecular weight of 320.48 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 171500822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).