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

C12H16O2 — CID 61100081

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
SMILESCCCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16O2/c1-2-3-11(13)9-4-5-12-10(8-9)6-7-14-12/h4-5,8,11,13H,2-3,6-7H2,1H3
InChIKeySDVWHQUYECHJPH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol (PubChem CID 61100081) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
PubChem CID61100081
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
SMILESCCCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16O2/c1-2-3-11(13)9-4-5-12-10(8-9)6-7-14-12/h4-5,8,11,13H,2-3,6-7H2,1H3
InChIKeySDVWHQUYECHJPH-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
CID 79734096
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol (CID 61100081) is 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol is CCCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
The InChIKey is SDVWHQUYECHJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-11(13)9-4-5-12-10(8-9)6-7-14-12/h4-5,8,11,13H,2-3,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol is sourced from PubChem (CID 61100081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).