7-chloro-6-propan-2-yl-1-benzofuran

C11H11ClO — CID 59613680

IUPAC7-chloro-6-propan-2-yl-1-benzofuran
SMILESCC(C)c1ccc2ccoc2c1Cl
InChIInChI=1S/C11H11ClO/c1-7(2)9-4-3-8-5-6-13-11(8)10(9)12/h3-7H,1-2H3
InChIKeyQADBPFIQZUSUSW-UHFFFAOYSA-N
MW194.66 g/mol
LogP4.21
Rot. Bonds1

About 7-chloro-6-propan-2-yl-1-benzofuran

7-chloro-6-propan-2-yl-1-benzofuran (PubChem CID 59613680) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 7-chloro-6-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-6-propan-2-yl-1-benzofuran
PubChem CID59613680
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name7-chloro-6-propan-2-yl-1-benzofuran
SMILESCC(C)c1ccc2ccoc2c1Cl
InChIInChI=1S/C11H11ClO/c1-7(2)9-4-3-8-5-6-13-11(8)10(9)12/h3-7H,1-2H3
InChIKeyQADBPFIQZUSUSW-UHFFFAOYSA-N
XLogP4.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-propan-2-yl-1-benzofuran?
The IUPAC name of 7-chloro-6-propan-2-yl-1-benzofuran (CID 59613680) is 7-chloro-6-propan-2-yl-1-benzofuran.
What is the SMILES notation for 7-chloro-6-propan-2-yl-1-benzofuran?
The canonical SMILES for 7-chloro-6-propan-2-yl-1-benzofuran is CC(C)c1ccc2ccoc2c1Cl.
What is the InChIKey of 7-chloro-6-propan-2-yl-1-benzofuran?
The InChIKey is QADBPFIQZUSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-7(2)9-4-3-8-5-6-13-11(8)10(9)12/h3-7H,1-2H3.
What are the key properties of 7-chloro-6-propan-2-yl-1-benzofuran?
7-chloro-6-propan-2-yl-1-benzofuran has a molecular weight of 194.66 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-propan-2-yl-1-benzofuran is sourced from PubChem (CID 59613680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).