(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol

C16H16O3 — CID 11230604

IUPAC(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol
SMILESCOc1c2cccc(C)c2c(CO)c2c(C)coc12
InChIInChI=1S/C16H16O3/c1-9-5-4-6-11-13(9)12(7-17)14-10(2)8-19-16(14)15(11)18-3/h4-6,8,17H,7H2,1-3H3
InChIKeyGWCRKJUZYPTASW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.70
Rot. Bonds2

About (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol

(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol (PubChem CID 11230604) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol.

Molecular Properties

Compound Name(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol
PubChem CID11230604
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol
SMILESCOc1c2cccc(C)c2c(CO)c2c(C)coc12
InChIInChI=1S/C16H16O3/c1-9-5-4-6-11-13(9)12(7-17)14-10(2)8-19-16(14)15(11)18-3/h4-6,8,17H,7H2,1-3H3
InChIKeyGWCRKJUZYPTASW-UHFFFAOYSA-N
XLogP3.70
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol?
The IUPAC name of (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol (CID 11230604) is (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol.
What is the SMILES notation for (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol?
The canonical SMILES for (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol is COc1c2cccc(C)c2c(CO)c2c(C)coc12.
What is the InChIKey of (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol?
The InChIKey is GWCRKJUZYPTASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-9-5-4-6-11-13(9)12(7-17)14-10(2)8-19-16(14)15(11)18-3/h4-6,8,17H,7H2,1-3H3.
What are the key properties of (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol?
(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol has a molecular weight of 256.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methanol is sourced from PubChem (CID 11230604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).