1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol

C13H18O2 — CID 63019372

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18O2/c1-9(2)5-13(14)10-3-4-11-7-15-8-12(11)6-10/h3-4,6,9,13-14H,5,7-8H2,1-2H3
InChIKeyMTXSDLAIPCHZRJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.80
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol

1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol (PubChem CID 63019372) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
PubChem CID63019372
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18O2/c1-9(2)5-13(14)10-3-4-11-7-15-8-12(11)6-10/h3-4,6,9,13-14H,5,7-8H2,1-2H3
InChIKeyMTXSDLAIPCHZRJ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 105412803
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol
CID 115803705
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-[5-(1-hydroxy-3-methylbutyl)-1,3-dihydroisoindol-2-yl]ethanone
CID 82175269
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813815
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
CID 117317830
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1,3-dihydro-2-benzofuran
CID 63742340

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol (CID 63019372) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol is CC(C)CC(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol?
The InChIKey is MTXSDLAIPCHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)5-13(14)10-3-4-11-7-15-8-12(11)6-10/h3-4,6,9,13-14H,5,7-8H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 63019372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).