4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran

C21H24O — CID 141105037

IUPAC4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran
SMILESCc1cc(C)c2c(-c3ccc(CC(C)C)cc3)coc2c1C
InChIInChI=1S/C21H24O/c1-13(2)10-17-6-8-18(9-7-17)19-12-22-21-16(5)14(3)11-15(4)20(19)21/h6-9,11-13H,10H2,1-5H3
InChIKeyFKERWWYFAZHMEP-UHFFFAOYSA-N
MW292.42 g/mol
LogP6.22
Rot. Bonds3

About 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran

4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran (PubChem CID 141105037) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran
PubChem CID141105037
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran
SMILESCc1cc(C)c2c(-c3ccc(CC(C)C)cc3)coc2c1C
InChIInChI=1S/C21H24O/c1-13(2)10-17-6-8-18(9-7-17)19-12-22-21-16(5)14(3)11-15(4)20(19)21/h6-9,11-13H,10H2,1-5H3
InChIKeyFKERWWYFAZHMEP-UHFFFAOYSA-N
XLogP6.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzofuran
CID 568
Tanshinone I
CID 114917
Furaprofen
CID 37801
Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzofurans
CID 253613
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
4,7-Dimethylbenzofuran
CID 33109
3-(Furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 270482
5-Methyl-2-phenyl-1-benzofuran
CID 1211950
1,3-Diphenylisobenzofuran
CID 21649
Dibenzo(b,d)furan-2-carboxaldehyde
CID 220843

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran?
The IUPAC name of 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran (CID 141105037) is 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran.
What is the SMILES notation for 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran?
The canonical SMILES for 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran is Cc1cc(C)c2c(-c3ccc(CC(C)C)cc3)coc2c1C.
What is the InChIKey of 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran?
The InChIKey is FKERWWYFAZHMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-13(2)10-17-6-8-18(9-7-17)19-12-22-21-16(5)14(3)11-15(4)20(19)21/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran?
4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran has a molecular weight of 292.42 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran is sourced from PubChem (CID 141105037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).