2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

C18H24O2 — CID 114724391

IUPAC2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCc1cccc2cc(C3(O)CCC(C)(C)CC3C)oc12
InChIInChI=1S/C18H24O2/c1-12-6-5-7-14-10-15(20-16(12)14)18(19)9-8-17(3,4)11-13(18)2/h5-7,10,13,19H,8-9,11H2,1-4H3
InChIKeyFJMGCELNMYWIBU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.78
Rot. Bonds1

About 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (PubChem CID 114724391) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
PubChem CID114724391
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCc1cccc2cc(C3(O)CCC(C)(C)CC3C)oc12
InChIInChI=1S/C18H24O2/c1-12-6-5-7-14-10-15(20-16(12)14)18(19)9-8-17(3,4)11-13(18)2/h5-7,10,13,19H,8-9,11H2,1-4H3
InChIKeyFJMGCELNMYWIBU-UHFFFAOYSA-N
XLogP4.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 114724396
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
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
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722939
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314579
1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106880494
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (CID 114724391) is 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is Cc1cccc2cc(C3(O)CCC(C)(C)CC3C)oc12.
What is the InChIKey of 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The InChIKey is FJMGCELNMYWIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12-6-5-7-14-10-15(20-16(12)14)18(19)9-8-17(3,4)11-13(18)2/h5-7,10,13,19H,8-9,11H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 114724391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).