2-methylidene-6H-cyclohepta[b]pyran-4-ol

C11H10O2 — CID 143309958

IUPAC2-methylidene-6H-cyclohepta[b]pyran-4-ol
SMILESC=C1C=C(O)C2=CCC=CC=C2O1
InChIInChI=1S/C11H10O2/c1-8-7-10(12)9-5-3-2-4-6-11(9)13-8/h2,4-7,12H,1,3H2
InChIKeyDIWFILAONKXDGN-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.74
Rot. Bonds

About 2-methylidene-6H-cyclohepta[b]pyran-4-ol

2-methylidene-6H-cyclohepta[b]pyran-4-ol (PubChem CID 143309958) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-methylidene-6H-cyclohepta[b]pyran-4-ol.

Molecular Properties

Compound Name2-methylidene-6H-cyclohepta[b]pyran-4-ol
PubChem CID143309958
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-methylidene-6H-cyclohepta[b]pyran-4-ol
SMILESC=C1C=C(O)C2=CCC=CC=C2O1
InChIInChI=1S/C11H10O2/c1-8-7-10(12)9-5-3-2-4-6-11(9)13-8/h2,4-7,12H,1,3H2
InChIKeyDIWFILAONKXDGN-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6H-cyclohepta[b]pyran-4-ol?
The IUPAC name of 2-methylidene-6H-cyclohepta[b]pyran-4-ol (CID 143309958) is 2-methylidene-6H-cyclohepta[b]pyran-4-ol.
What is the SMILES notation for 2-methylidene-6H-cyclohepta[b]pyran-4-ol?
The canonical SMILES for 2-methylidene-6H-cyclohepta[b]pyran-4-ol is C=C1C=C(O)C2=CCC=CC=C2O1.
What is the InChIKey of 2-methylidene-6H-cyclohepta[b]pyran-4-ol?
The InChIKey is DIWFILAONKXDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-7-10(12)9-5-3-2-4-6-11(9)13-8/h2,4-7,12H,1,3H2.
What are the key properties of 2-methylidene-6H-cyclohepta[b]pyran-4-ol?
2-methylidene-6H-cyclohepta[b]pyran-4-ol has a molecular weight of 174.20 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6H-cyclohepta[b]pyran-4-ol is sourced from PubChem (CID 143309958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).