3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

C18H24O2 — CID 114722876

IUPAC3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCc1cccc2cc(C3(O)CC(C)CC(C)(C)C3)oc12
InChIInChI=1S/C18H24O2/c1-12-9-17(3,4)11-18(19,10-12)15-8-14-7-5-6-13(2)16(14)20-15/h5-8,12,19H,9-11H2,1-4H3
InChIKeyJWOVGKXRIAKECD-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.78
Rot. Bonds1

About 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol

3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (PubChem CID 114722876) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
PubChem CID114722876
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
SMILESCc1cccc2cc(C3(O)CC(C)CC(C)(C)C3)oc12
InChIInChI=1S/C18H24O2/c1-12-9-17(3,4)11-18(19,10-12)15-8-14-7-5-6-13(2)16(14)20-15/h5-8,12,19H,9-11H2,1-4H3
InChIKeyJWOVGKXRIAKECD-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

2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
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
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
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
CID 62811614
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
CID 114723977
[(2,2-dimethylcyclopropyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107005862

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol (CID 114722876) is 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is Cc1cccc2cc(C3(O)CC(C)CC(C)(C)C3)oc12.
What is the InChIKey of 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
The InChIKey is JWOVGKXRIAKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12-9-17(3,4)11-18(19,10-12)15-8-14-7-5-6-13(2)16(14)20-15/h5-8,12,19H,9-11H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol?
3,3,5-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 3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 114722876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).