2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

C17H22O2 — CID 114723887

IUPAC2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCc1cccc2cc(C3(O)CCCC(C)C3C)oc12
InChIInChI=1S/C17H22O2/c1-11-7-5-9-17(18,13(11)3)15-10-14-8-4-6-12(2)16(14)19-15/h4,6,8,10-11,13,18H,5,7,9H2,1-3H3
InChIKeyQKMDMRGUJQKWNV-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.38
Rot. Bonds1

About 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (PubChem CID 114723887) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
PubChem CID114723887
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCc1cccc2cc(C3(O)CCCC(C)C3C)oc12
InChIInChI=1S/C17H22O2/c1-11-7-5-9-17(18,13(11)3)15-10-14-8-4-6-12(2)16(14)19-15/h4,6,8,10-11,13,18H,5,7,9H2,1-3H3
InChIKeyQKMDMRGUJQKWNV-UHFFFAOYSA-N
XLogP4.38
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722939
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
(2-amino-1-methylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114737310
1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
CID 114723977
(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107191137
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The IUPAC name of 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (CID 114723887) is 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is Cc1cccc2cc(C3(O)CCCC(C)C3C)oc12.
What is the InChIKey of 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The InChIKey is QKMDMRGUJQKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-11-7-5-9-17(18,13(11)3)15-10-14-8-4-6-12(2)16(14)19-15/h4,6,8,10-11,13,18H,5,7,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 114723887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).