(3-propan-2-yl-1-benzofuran-6-yl)methanol

C12H14O2 — CID 163817629

IUPAC(3-propan-2-yl-1-benzofuran-6-yl)methanol
SMILESCC(C)c1coc2cc(CO)ccc12
InChIInChI=1S/C12H14O2/c1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12/h3-5,7-8,13H,6H2,1-2H3
InChIKeyAIONPTQLCFCWJA-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.05
Rot. Bonds2

About (3-propan-2-yl-1-benzofuran-6-yl)methanol

(3-propan-2-yl-1-benzofuran-6-yl)methanol (PubChem CID 163817629) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3-propan-2-yl-1-benzofuran-6-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yl-1-benzofuran-6-yl)methanol
PubChem CID163817629
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3-propan-2-yl-1-benzofuran-6-yl)methanol
SMILESCC(C)c1coc2cc(CO)ccc12
InChIInChI=1S/C12H14O2/c1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12/h3-5,7-8,13H,6H2,1-2H3
InChIKeyAIONPTQLCFCWJA-UHFFFAOYSA-N
XLogP3.05
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
CID 58402386
(4-methyl-3-propan-2-ylphenyl)methanol
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5-(hydroxymethyl)-2-propan-2-ylphenol
CID 14002478
5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
[3-propan-2-yl-4-(sulfanylmethyl)phenyl]methanol
CID 176584339
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
methyl 4-(hydroxymethyl)-2-propan-2-ylbenzoate
CID 171784166
6-ethyl-3-methyl-1-benzofuran
CID 45122551
3-(1-azidoethyl)-6-[(4-ethoxyphenoxy)methyl]-1-benzofuran
CID 58047188
2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid
CID 58047621
(4-propan-2-yl-3-prop-2-enylphenyl)methanol
CID 118407967

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1-benzofuran-6-yl)methanol?
The IUPAC name of (3-propan-2-yl-1-benzofuran-6-yl)methanol (CID 163817629) is (3-propan-2-yl-1-benzofuran-6-yl)methanol.
What is the SMILES notation for (3-propan-2-yl-1-benzofuran-6-yl)methanol?
The canonical SMILES for (3-propan-2-yl-1-benzofuran-6-yl)methanol is CC(C)c1coc2cc(CO)ccc12.
What is the InChIKey of (3-propan-2-yl-1-benzofuran-6-yl)methanol?
The InChIKey is AIONPTQLCFCWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of (3-propan-2-yl-1-benzofuran-6-yl)methanol?
(3-propan-2-yl-1-benzofuran-6-yl)methanol has a molecular weight of 190.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1-benzofuran-6-yl)methanol is sourced from PubChem (CID 163817629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).