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

C16H22O3 — CID 107294006

IUPAC(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
SMILESCC1(C)COc2ccc(C(O)C3CCCOC3)cc21
InChIInChI=1S/C16H22O3/c1-16(2)10-19-14-6-5-11(8-13(14)16)15(17)12-4-3-7-18-9-12/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3
InChIKeySJGGLMRQFXZJJO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.82
Rot. Bonds2

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

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol (PubChem CID 107294006) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
PubChem CID107294006
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
SMILESCC1(C)COc2ccc(C(O)C3CCCOC3)cc21
InChIInChI=1S/C16H22O3/c1-16(2)10-19-14-6-5-11(8-13(14)16)15(17)12-4-3-7-18-9-12/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3
InChIKeySJGGLMRQFXZJJO-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methyl]ethanamine
CID 107293755
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
5-[chloro(oxolan-3-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294309
7-bicyclo[4.1.0]heptanyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294132
2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294159
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
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
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol?
The IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol (CID 107294006) is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol is CC1(C)COc2ccc(C(O)C3CCCOC3)cc21.
What is the InChIKey of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol?
The InChIKey is SJGGLMRQFXZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2)10-19-14-6-5-11(8-13(14)16)15(17)12-4-3-7-18-9-12/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol?
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol has a molecular weight of 262.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107294006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).