(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid

C13H14ClNO3 — CID 22140813

IUPAC(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid
SMILESCC(C)(C)c1cc2ccc(Cl)c(NC(=O)O)c2o1
InChIInChI=1S/C13H14ClNO3/c1-13(2,3)9-6-7-4-5-8(14)10(11(7)18-9)15-12(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyXWCDFRBBIDOUHG-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.47
Rot. Bonds1

About (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid

(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid (PubChem CID 22140813) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid.

Molecular Properties

Compound Name(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid
PubChem CID22140813
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid
SMILESCC(C)(C)c1cc2ccc(Cl)c(NC(=O)O)c2o1
InChIInChI=1S/C13H14ClNO3/c1-13(2,3)9-6-7-4-5-8(14)10(11(7)18-9)15-12(16)17/h4-6,15H,1-3H3,(H,16,17)
InChIKeyXWCDFRBBIDOUHG-UHFFFAOYSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid?
The IUPAC name of (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid (CID 22140813) is (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid.
What is the SMILES notation for (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid?
The canonical SMILES for (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid is CC(C)(C)c1cc2ccc(Cl)c(NC(=O)O)c2o1.
What is the InChIKey of (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid?
The InChIKey is XWCDFRBBIDOUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-13(2,3)9-6-7-4-5-8(14)10(11(7)18-9)15-12(16)17/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid?
(2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid has a molecular weight of 267.71 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-chloro-1-benzofuran-7-yl)carbamic acid is sourced from PubChem (CID 22140813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).