7-propan-2-yl-1-benzofuran-2-carboxylic acid

C12H12O3 — CID 82372668

IUPAC7-propan-2-yl-1-benzofuran-2-carboxylic acid
SMILESCC(C)c1cccc2cc(C(=O)O)oc12
InChIInChI=1S/C12H12O3/c1-7(2)9-5-3-4-8-6-10(12(13)14)15-11(8)9/h3-7H,1-2H3,(H,13,14)
InChIKeyBCGHPDBTJYWPJG-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.25
Rot. Bonds2

About 7-propan-2-yl-1-benzofuran-2-carboxylic acid

7-propan-2-yl-1-benzofuran-2-carboxylic acid (PubChem CID 82372668) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-propan-2-yl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-propan-2-yl-1-benzofuran-2-carboxylic acid
PubChem CID82372668
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-propan-2-yl-1-benzofuran-2-carboxylic acid
SMILESCC(C)c1cccc2cc(C(=O)O)oc12
InChIInChI=1S/C12H12O3/c1-7(2)9-5-3-4-8-6-10(12(13)14)15-11(8)9/h3-7H,1-2H3,(H,13,14)
InChIKeyBCGHPDBTJYWPJG-UHFFFAOYSA-N
XLogP3.25
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide
CID 176931858
2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one
CID 65427274
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
1-(7-butan-2-yl-1-benzofuran-2-yl)ethanone
CID 14468441
7-propan-2-yl-1-benzofuran-2-carbaldehyde
CID 10750112
3-amino-8-propan-2-ylchromen-2-one
CID 59144751
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-carboxylic acid
CID 75486500
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
CID 65426129
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-propan-2-yl-1-benzofuran-2-carboxylic acid (CID 82372668) is 7-propan-2-yl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-propan-2-yl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-propan-2-yl-1-benzofuran-2-carboxylic acid is CC(C)c1cccc2cc(C(=O)O)oc12.
What is the InChIKey of 7-propan-2-yl-1-benzofuran-2-carboxylic acid?
The InChIKey is BCGHPDBTJYWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7(2)9-5-3-4-8-6-10(12(13)14)15-11(8)9/h3-7H,1-2H3,(H,13,14).
What are the key properties of 7-propan-2-yl-1-benzofuran-2-carboxylic acid?
7-propan-2-yl-1-benzofuran-2-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 82372668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).