9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol

C14H16O2 — CID 170405732

IUPAC9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol
SMILESCC1CCCc2oc3ccc(O)cc3c2C1
InChIInChI=1S/C14H16O2/c1-9-3-2-4-13-11(7-9)12-8-10(15)5-6-14(12)16-13/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyXUOJCZOKYVTFFM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.65
Rot. Bonds

About 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol

9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol (PubChem CID 170405732) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol.

Molecular Properties

Compound Name9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol
PubChem CID170405732
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol
SMILESCC1CCCc2oc3ccc(O)cc3c2C1
InChIInChI=1S/C14H16O2/c1-9-3-2-4-13-11(7-9)12-8-10(15)5-6-14(12)16-13/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyXUOJCZOKYVTFFM-UHFFFAOYSA-N
XLogP3.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol?
The IUPAC name of 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol (CID 170405732) is 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol.
What is the SMILES notation for 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol?
The canonical SMILES for 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol is CC1CCCc2oc3ccc(O)cc3c2C1.
What is the InChIKey of 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol?
The InChIKey is XUOJCZOKYVTFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-3-2-4-13-11(7-9)12-8-10(15)5-6-14(12)16-13/h5-6,8-9,15H,2-4,7H2,1H3.
What are the key properties of 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol?
9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol has a molecular weight of 216.28 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol is sourced from PubChem (CID 170405732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).