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

C18H26O2 — CID 107294029

IUPACcycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
SMILESCC1(C)COc2ccc(C(O)C3CCCCCC3)cc21
InChIInChI=1S/C18H26O2/c1-18(2)12-20-16-10-9-14(11-15(16)18)17(19)13-7-5-3-4-6-8-13/h9-11,13,17,19H,3-8,12H2,1-2H3
InChIKeyCKSGOILXKKWBCM-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.36
Rot. Bonds2

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

cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol (PubChem CID 107294029) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Namecycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
PubChem CID107294029
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Namecycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
SMILESCC1(C)COc2ccc(C(O)C3CCCCCC3)cc21
InChIInChI=1S/C18H26O2/c1-18(2)12-20-16-10-9-14(11-15(16)18)17(19)13-7-5-3-4-6-8-13/h9-11,13,17,19H,3-8,12H2,1-2H3
InChIKeyCKSGOILXKKWBCM-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
CID 107294006
2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294159
7-bicyclo[4.1.0]heptanyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294132
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 107294030
1,3-benzodioxol-5-yl(cycloheptyl)methanol
CID 82929316
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
CID 107294086
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
2-(4-bromophenyl)-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294093

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The IUPAC name of cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol (CID 107294029) is cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The canonical SMILES for cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol is CC1(C)COc2ccc(C(O)C3CCCCCC3)cc21.
What is the InChIKey of cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The InChIKey is CKSGOILXKKWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-18(2)12-20-16-10-9-14(11-15(16)18)17(19)13-7-5-3-4-6-8-13/h9-11,13,17,19H,3-8,12H2,1-2H3.
What are the key properties of cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol has a molecular weight of 274.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 107294029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).