1-(1-benzofuran-2-yl)heptan-1-ol

C15H20O2 — CID 63089894

IUPAC1-(1-benzofuran-2-yl)heptan-1-ol
SMILESCCCCCCC(O)c1cc2ccccc2o1
InChIInChI=1S/C15H20O2/c1-2-3-4-5-9-13(16)15-11-12-8-6-7-10-14(12)17-15/h6-8,10-11,13,16H,2-5,9H2,1H3
InChIKeyOYRYURDZQLHBFP-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.44
Rot. Bonds6

About 1-(1-benzofuran-2-yl)heptan-1-ol

1-(1-benzofuran-2-yl)heptan-1-ol (PubChem CID 63089894) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)heptan-1-ol
PubChem CID63089894
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(1-benzofuran-2-yl)heptan-1-ol
SMILESCCCCCCC(O)c1cc2ccccc2o1
InChIInChI=1S/C15H20O2/c1-2-3-4-5-9-13(16)15-11-12-8-6-7-10-14(12)17-15/h6-8,10-11,13,16H,2-5,9H2,1H3
InChIKeyOYRYURDZQLHBFP-UHFFFAOYSA-N
XLogP4.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-benzofuran-2-yl)heptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
2-decyl-1-benzofuran
CID 15365265
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
1-dibenzofuran-2-ylheptan-1-ol
CID 114753371
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)heptan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)heptan-1-ol (CID 63089894) is 1-(1-benzofuran-2-yl)heptan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)heptan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)heptan-1-ol is CCCCCCC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)heptan-1-ol?
The InChIKey is OYRYURDZQLHBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-5-9-13(16)15-11-12-8-6-7-10-14(12)17-15/h6-8,10-11,13,16H,2-5,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)heptan-1-ol?
1-(1-benzofuran-2-yl)heptan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)heptan-1-ol is sourced from PubChem (CID 63089894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).