1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol

C16H18O3 — CID 83171234

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
SMILESCC1(C)Cc2cccc(C(O)Cc3ccco3)c2O1
InChIInChI=1S/C16H18O3/c1-16(2)10-11-5-3-7-13(15(11)19-16)14(17)9-12-6-4-8-18-12/h3-8,14,17H,9-10H2,1-2H3
InChIKeyDRXZAWIHRHMIIS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol (PubChem CID 83171234) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
PubChem CID83171234
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
SMILESCC1(C)Cc2cccc(C(O)Cc3ccco3)c2O1
InChIInChI=1S/C16H18O3/c1-16(2)10-11-5-3-7-13(15(11)19-16)14(17)9-12-6-4-8-18-12/h3-8,14,17H,9-10H2,1-2H3
InChIKeyDRXZAWIHRHMIIS-UHFFFAOYSA-N
XLogP3.27
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
CID 64567200
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035139
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-[formyl(methyl)amino]acetic acid
CID 64508159
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-hydroxymethyl]pentanoic acid
CID 83043675
(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanol
CID 64506367
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
CID 64512506
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698810

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol (CID 83171234) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol is CC1(C)Cc2cccc(C(O)Cc3ccco3)c2O1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol?
The InChIKey is DRXZAWIHRHMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(2)10-11-5-3-7-13(15(11)19-16)14(17)9-12-6-4-8-18-12/h3-8,14,17H,9-10H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol?
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 83171234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).