(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol

C16H19FO2 — CID 114724078

IUPAC(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C16H19FO2/c1-10-3-2-4-11(7-10)16(18)15-9-12-8-13(17)5-6-14(12)19-15/h5-6,8-11,16,18H,2-4,7H2,1H3
InChIKeyKJWWFXVMWREZAX-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.43
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol

(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol (PubChem CID 114724078) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
PubChem CID114724078
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C16H19FO2/c1-10-3-2-4-11(7-10)16(18)15-9-12-8-13(17)5-6-14(12)19-15/h5-6,8-11,16,18H,2-4,7H2,1H3
InChIKeyKJWWFXVMWREZAX-UHFFFAOYSA-N
XLogP4.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 114728254
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
CID 114726295
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726702

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol (CID 114724078) is (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2cc3cc(F)ccc3o2)C1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
The InChIKey is KJWWFXVMWREZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-10-3-2-4-11(7-10)16(18)15-9-12-8-13(17)5-6-14(12)19-15/h5-6,8-11,16,18H,2-4,7H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol?
(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol has a molecular weight of 262.32 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 114724078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).