5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran

C17H24O2 — CID 176877241

IUPAC5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran
SMILESCC(C)Oc1c(C(C)C)cc(C(C)C)c2occc12
InChIInChI=1S/C17H24O2/c1-10(2)14-9-15(11(3)4)17(19-12(5)6)13-7-8-18-16(13)14/h7-12H,1-6H3
InChIKeyHYYGNMLSOZJVHM-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.47
Rot. Bonds4

About 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran

5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran (PubChem CID 176877241) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran
PubChem CID176877241
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran
SMILESCC(C)Oc1c(C(C)C)cc(C(C)C)c2occc12
InChIInChI=1S/C17H24O2/c1-10(2)14-9-15(11(3)4)17(19-12(5)6)13-7-8-18-16(13)14/h7-12H,1-6H3
InChIKeyHYYGNMLSOZJVHM-UHFFFAOYSA-N
XLogP5.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine
CID 176877286
4-fluoro-5,7-di(propan-2-yl)-1-benzofuran
CID 176877276
ethane;7-methyl-4-propan-2-yl-1-benzofuran
CID 145358952
5,7-di(propan-2-yl)-1-benzofuran
CID 58779354
6-methoxy-7-propan-2-yloxy-1-benzofuran
CID 154362397
7-propan-2-yl-1-benzofuran-4-sulfonic acid
CID 156647963
5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156725009
7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran
CID 138519726
4-(diethoxymethyl)benzo[e][1]benzofuran
CID 139258572
4-propan-2-yloxy-1-benzofuran
CID 68788950
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176
4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
CID 71217546

Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran?
The IUPAC name of 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran (CID 176877241) is 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran.
What is the SMILES notation for 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran?
The canonical SMILES for 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran is CC(C)Oc1c(C(C)C)cc(C(C)C)c2occc12.
What is the InChIKey of 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran?
The InChIKey is HYYGNMLSOZJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-10(2)14-9-15(11(3)4)17(19-12(5)6)13-7-8-18-16(13)14/h7-12H,1-6H3.
What are the key properties of 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran?
5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran has a molecular weight of 260.38 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran is sourced from PubChem (CID 176877241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).