2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol

C15H19FO2 — CID 114724338

IUPAC2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
SMILESCCCCCC(C)(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H19FO2/c1-3-4-5-8-15(2,17)14-10-11-9-12(16)6-7-13(11)18-14/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeyJCMJVCOJAAYUJY-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.36
Rot. Bonds5

About 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol

2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol (PubChem CID 114724338) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
PubChem CID114724338
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
SMILESCCCCCC(C)(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H19FO2/c1-3-4-5-8-15(2,17)14-10-11-9-12(16)6-7-13(11)18-14/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeyJCMJVCOJAAYUJY-UHFFFAOYSA-N
XLogP4.36
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.36
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

2-(5-fluoro-1-benzofuran-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832934
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
3-butyl-6-fluorochromen-2-one
CID 162411608
2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
CID 114724331
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-(3,4-difluorophenyl)heptan-2-ol
CID 80557714

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol?
The IUPAC name of 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol (CID 114724338) is 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol is CCCCCC(C)(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol?
The InChIKey is JCMJVCOJAAYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-4-5-8-15(2,17)14-10-11-9-12(16)6-7-13(11)18-14/h6-7,9-10,17H,3-5,8H2,1-2H3.
What are the key properties of 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol?
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol has a molecular weight of 250.31 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol is sourced from PubChem (CID 114724338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).