2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol

C19H28O2 — CID 107294159

IUPAC2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
SMILESCC1(C)COc2ccc(C(O)CC3CCCCCC3)cc21
InChIInChI=1S/C19H28O2/c1-19(2)13-21-18-10-9-15(12-16(18)19)17(20)11-14-7-5-3-4-6-8-14/h9-10,12,14,17,20H,3-8,11,13H2,1-2H3
InChIKeyAIARYTGZFGIENK-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.75
Rot. Bonds3

About 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol

2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol (PubChem CID 107294159) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
PubChem CID107294159
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
SMILESCC1(C)COc2ccc(C(O)CC3CCCCCC3)cc21
InChIInChI=1S/C19H28O2/c1-19(2)13-21-18-10-9-15(12-16(18)19)17(20)11-14-7-5-3-4-6-8-14/h9-10,12,14,17,20H,3-8,11,13H2,1-2H3
InChIKeyAIARYTGZFGIENK-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
7-bicyclo[4.1.0]heptanyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294132
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 107294030
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 107293631
2-(4-bromophenyl)-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294093
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
CID 107294006
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
CID 107294086
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol (CID 107294159) is 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol is CC1(C)COc2ccc(C(O)CC3CCCCCC3)cc21.
What is the InChIKey of 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
The InChIKey is AIARYTGZFGIENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-19(2)13-21-18-10-9-15(12-16(18)19)17(20)11-14-7-5-3-4-6-8-14/h9-10,12,14,17,20H,3-8,11,13H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol?
2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol has a molecular weight of 288.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 107294159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).