[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol

C16H21FO3 — CID 106825333

IUPAC[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol
SMILESOCC1CCC(OCC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C16H21FO3/c17-13-3-6-16-12(7-13)8-15(20-16)10-19-14-4-1-11(9-18)2-5-14/h3,6-7,11,14-15,18H,1-2,4-5,8-10H2
InChIKeySTHSGLSBDJDDOJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.70
Rot. Bonds4

About [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol

[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol (PubChem CID 106825333) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol
PubChem CID106825333
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol
SMILESOCC1CCC(OCC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C16H21FO3/c17-13-3-6-16-12(7-13)8-15(20-16)10-19-14-4-1-11(9-18)2-5-14/h3,6-7,11,14-15,18H,1-2,4-5,8-10H2
InChIKeySTHSGLSBDJDDOJ-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol with MolForge

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Related Compounds

1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 66364150
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
CID 66360881
4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
CID 82684841
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
CID 66362964
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
6-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 119027397

Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol (CID 106825333) is [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol is OCC1CCC(OCC2Cc3cc(F)ccc3O2)CC1.
What is the InChIKey of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol?
The InChIKey is STHSGLSBDJDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c17-13-3-6-16-12(7-13)8-15(20-16)10-19-14-4-1-11(9-18)2-5-14/h3,6-7,11,14-15,18H,1-2,4-5,8-10H2.
What are the key properties of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol?
[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol has a molecular weight of 280.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).