cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol

C16H19FO2 — CID 66777937

IUPACcyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
SMILESCc1c(C(O)C2CCCCC2)oc2ccc(F)cc12
InChIInChI=1S/C16H19FO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15,18H,2-6H2,1H3
InChIKeyOFHDVGJKXNMDBB-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.49
Rot. Bonds2

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

cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol (PubChem CID 66777937) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
PubChem CID66777937
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Namecyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
SMILESCc1c(C(O)C2CCCCC2)oc2ccc(F)cc12
InChIInChI=1S/C16H19FO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15,18H,2-6H2,1H3
InChIKeyOFHDVGJKXNMDBB-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
CID 66778775
cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
CID 66778623
N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 143859293
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
cyclohexyl-[3-methyl-5-(2-methylsulfanylethoxy)-1-benzofuran-2-yl]methanol
CID 66777070
cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
methyl 5-[[cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-2-carboxylate
CID 66777793
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol (CID 66777937) is cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol is Cc1c(C(O)C2CCCCC2)oc2ccc(F)cc12.
What is the InChIKey of cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is OFHDVGJKXNMDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15,18H,2-6H2,1H3.
What are the key properties of cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol?
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 262.32 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 66777937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).