1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol

C17H22O2 — CID 114795009

IUPAC1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(C)(O)C3CCCCC3)cc2c1
InChIInChI=1S/C17H22O2/c1-12-8-9-15-13(10-12)11-16(19-15)17(2,18)14-6-4-3-5-7-14/h8-11,14,18H,3-7H2,1-2H3
InChIKeyLBKNOQAZABJRPB-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.53
Rot. Bonds2

About 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol

1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 114795009) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
PubChem CID114795009
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(C)(O)C3CCCCC3)cc2c1
InChIInChI=1S/C17H22O2/c1-12-8-9-15-13(10-12)11-16(19-15)17(2,18)14-6-4-3-5-7-14/h8-11,14,18H,3-7H2,1-2H3
InChIKeyLBKNOQAZABJRPB-UHFFFAOYSA-N
XLogP4.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520
3-cyclohexyl-6-methyl-1,3-benzoxazin-3-ium-2-one
CID 20783606
2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
CID 114724818
2-(6-methyl-1-benzofuran-2-yl)propan-2-ol
CID 117122380
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732936
2-methyl-3-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114733767
1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114872398

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol (CID 114795009) is 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc2oc(C(C)(O)C3CCCCC3)cc2c1.
What is the InChIKey of 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is LBKNOQAZABJRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12-8-9-15-13(10-12)11-16(19-15)17(2,18)14-6-4-3-5-7-14/h8-11,14,18H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114795009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).