2-ethyl-7-propan-2-yl-1-benzofuran-3-ol

C13H16O2 — CID 91138149

IUPAC2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
SMILESCCc1oc2c(C(C)C)cccc2c1O
InChIInChI=1S/C13H16O2/c1-4-11-12(14)10-7-5-6-9(8(2)3)13(10)15-11/h5-8,14H,4H2,1-3H3
InChIKeyLFVHETNVXOAAGA-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.82
Rot. Bonds2

About 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol

2-ethyl-7-propan-2-yl-1-benzofuran-3-ol (PubChem CID 91138149) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
PubChem CID91138149
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
SMILESCCc1oc2c(C(C)C)cccc2c1O
InChIInChI=1S/C13H16O2/c1-4-11-12(14)10-7-5-6-9(8(2)3)13(10)15-11/h5-8,14H,4H2,1-3H3
InChIKeyLFVHETNVXOAAGA-UHFFFAOYSA-N
XLogP3.82
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
CID 82378293
(6-propan-2-yldibenzofuran-1-yl)boronic acid
CID 140857097
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
CID 18787505
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol?
The IUPAC name of 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol (CID 91138149) is 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol.
What is the SMILES notation for 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol?
The canonical SMILES for 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol is CCc1oc2c(C(C)C)cccc2c1O.
What is the InChIKey of 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol?
The InChIKey is LFVHETNVXOAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-11-12(14)10-7-5-6-9(8(2)3)13(10)15-11/h5-8,14H,4H2,1-3H3.
What are the key properties of 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol?
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol has a molecular weight of 204.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-propan-2-yl-1-benzofuran-3-ol is sourced from PubChem (CID 91138149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).