4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol

C13H18O2 — CID 66363239

IUPAC4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)CC1Cc2ccccc2O1
InChIInChI=1S/C13H18O2/c1-9(10(2)14)7-12-8-11-5-3-4-6-13(11)15-12/h3-6,9-10,12,14H,7-8H2,1-2H3
InChIKeyZMHBKORTEQENEN-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.40
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol

4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol (PubChem CID 66363239) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
PubChem CID66363239
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)CC1Cc2ccccc2O1
InChIInChI=1S/C13H18O2/c1-9(10(2)14)7-12-8-11-5-3-4-6-13(11)15-12/h3-6,9-10,12,14H,7-8H2,1-2H3
InChIKeyZMHBKORTEQENEN-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
CID 66363030
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanoic acid
CID 66365369
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol
CID 66365412
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol (CID 66363239) is 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol is CC(O)C(C)CC1Cc2ccccc2O1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol?
The InChIKey is ZMHBKORTEQENEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(10(2)14)7-12-8-11-5-3-4-6-13(11)15-12/h3-6,9-10,12,14H,7-8H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol?
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 66363239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).