4-cyclopropyl-5,7-dimethyl-1-benzofuran

C13H14O — CID 156724618

IUPAC4-cyclopropyl-5,7-dimethyl-1-benzofuran
SMILESCc1cc(C)c2occc2c1C1CC1
InChIInChI=1S/C13H14O/c1-8-7-9(2)13-11(5-6-14-13)12(8)10-3-4-10/h5-7,10H,3-4H2,1-2H3
InChIKeyKRBSNBSSKDVJAK-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.93
Rot. Bonds1

About 4-cyclopropyl-5,7-dimethyl-1-benzofuran

4-cyclopropyl-5,7-dimethyl-1-benzofuran (PubChem CID 156724618) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-cyclopropyl-5,7-dimethyl-1-benzofuran.

Molecular Properties

Compound Name4-cyclopropyl-5,7-dimethyl-1-benzofuran
PubChem CID156724618
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name4-cyclopropyl-5,7-dimethyl-1-benzofuran
SMILESCc1cc(C)c2occc2c1C1CC1
InChIInChI=1S/C13H14O/c1-8-7-9(2)13-11(5-6-14-13)12(8)10-3-4-10/h5-7,10H,3-4H2,1-2H3
InChIKeyKRBSNBSSKDVJAK-UHFFFAOYSA-N
XLogP3.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5,7-dimethyl-1-benzofuran?
The IUPAC name of 4-cyclopropyl-5,7-dimethyl-1-benzofuran (CID 156724618) is 4-cyclopropyl-5,7-dimethyl-1-benzofuran.
What is the SMILES notation for 4-cyclopropyl-5,7-dimethyl-1-benzofuran?
The canonical SMILES for 4-cyclopropyl-5,7-dimethyl-1-benzofuran is Cc1cc(C)c2occc2c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5,7-dimethyl-1-benzofuran?
The InChIKey is KRBSNBSSKDVJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-8-7-9(2)13-11(5-6-14-13)12(8)10-3-4-10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-5,7-dimethyl-1-benzofuran?
4-cyclopropyl-5,7-dimethyl-1-benzofuran has a molecular weight of 186.25 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5,7-dimethyl-1-benzofuran is sourced from PubChem (CID 156724618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).