3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

C16H20O3 — CID 106874108

IUPAC3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(c2cc3cc(C)ccc3o2)C1
InChIInChI=1S/C16H20O3/c1-11-5-6-14-12(8-11)9-15(19-14)16(17)7-3-4-13(10-16)18-2/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3
InChIKeyUQXRMLMLFIAZTJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.52
Rot. Bonds2

About 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (PubChem CID 106874108) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
PubChem CID106874108
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(c2cc3cc(C)ccc3o2)C1
InChIInChI=1S/C16H20O3/c1-11-5-6-14-12(8-11)9-15(19-14)16(17)7-3-4-13(10-16)18-2/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3
InChIKeyUQXRMLMLFIAZTJ-UHFFFAOYSA-N
XLogP3.52
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723920
3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114724378
1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol
CID 79332367
4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
CID 114723986
3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 106873976
1-(5-chloro-1-benzofuran-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 114723992
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114726107
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
CID 114723885
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
CID 113414594
1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
CID 106874125

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (CID 106874108) is 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is COC1CCCC(O)(c2cc3cc(C)ccc3o2)C1.
What is the InChIKey of 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The InChIKey is UQXRMLMLFIAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-11-5-6-14-12(8-11)9-15(19-14)16(17)7-3-4-13(10-16)18-2/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3.
What are the key properties of 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol has a molecular weight of 260.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 106874108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).