6-tert-butyl-3-chloro-1-benzofuran

C12H13ClO — CID 153011852

IUPAC6-tert-butyl-3-chloro-1-benzofuran
SMILESCC(C)(C)c1ccc2c(Cl)coc2c1
InChIInChI=1S/C12H13ClO/c1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8/h4-7H,1-3H3
InChIKeyVAFAQRPESCUHRR-UHFFFAOYSA-N
MW208.69 g/mol
LogP4.38
Rot. Bonds

About 6-tert-butyl-3-chloro-1-benzofuran

6-tert-butyl-3-chloro-1-benzofuran (PubChem CID 153011852) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-tert-butyl-3-chloro-1-benzofuran.

Molecular Properties

Compound Name6-tert-butyl-3-chloro-1-benzofuran
PubChem CID153011852
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name6-tert-butyl-3-chloro-1-benzofuran
SMILESCC(C)(C)c1ccc2c(Cl)coc2c1
InChIInChI=1S/C12H13ClO/c1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8/h4-7H,1-3H3
InChIKeyVAFAQRPESCUHRR-UHFFFAOYSA-N
XLogP4.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-chloro-1-benzofuran?
The IUPAC name of 6-tert-butyl-3-chloro-1-benzofuran (CID 153011852) is 6-tert-butyl-3-chloro-1-benzofuran.
What is the SMILES notation for 6-tert-butyl-3-chloro-1-benzofuran?
The canonical SMILES for 6-tert-butyl-3-chloro-1-benzofuran is CC(C)(C)c1ccc2c(Cl)coc2c1.
What is the InChIKey of 6-tert-butyl-3-chloro-1-benzofuran?
The InChIKey is VAFAQRPESCUHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-12(2,3)8-4-5-9-10(13)7-14-11(9)6-8/h4-7H,1-3H3.
What are the key properties of 6-tert-butyl-3-chloro-1-benzofuran?
6-tert-butyl-3-chloro-1-benzofuran has a molecular weight of 208.69 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-chloro-1-benzofuran is sourced from PubChem (CID 153011852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).