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

C14H20O2 — CID 61099251

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20O2/c1-2-3-4-5-13(15)11-6-7-14-12(10-11)8-9-16-14/h6-7,10,13,15H,2-5,8-9H2,1H3
InChIKeyHEUFDAAINSQLKM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol (PubChem CID 61099251) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
PubChem CID61099251
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20O2/c1-2-3-4-5-13(15)11-6-7-14-12(10-11)8-9-16-14/h6-7,10,13,15H,2-5,8-9H2,1H3
InChIKeyHEUFDAAINSQLKM-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol (CID 61099251) is 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol is CCCCCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol?
The InChIKey is HEUFDAAINSQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-13(15)11-6-7-14-12(10-11)8-9-16-14/h6-7,10,13,15H,2-5,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.24, 5 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)hexan-1-ol is sourced from PubChem (CID 61099251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).