3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran

C13H14O — CID 14469122

IUPAC3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran
SMILESC=C1COC2c3ccccc3CCC12
InChIInChI=1S/C13H14O/c1-9-8-14-13-11(9)7-6-10-4-2-3-5-12(10)13/h2-5,11,13H,1,6-8H2
InChIKeyOOTYTYCBKCKYDG-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.88
Rot. Bonds

About 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran

3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran (PubChem CID 14469122) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran.

Molecular Properties

Compound Name3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran
PubChem CID14469122
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran
SMILESC=C1COC2c3ccccc3CCC12
InChIInChI=1S/C13H14O/c1-9-8-14-13-11(9)7-6-10-4-2-3-5-12(10)13/h2-5,11,13H,1,6-8H2
InChIKeyOOTYTYCBKCKYDG-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran?
The IUPAC name of 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran (CID 14469122) is 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran.
What is the SMILES notation for 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran?
The canonical SMILES for 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran is C=C1COC2c3ccccc3CCC12.
What is the InChIKey of 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran?
The InChIKey is OOTYTYCBKCKYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-8-14-13-11(9)7-6-10-4-2-3-5-12(10)13/h2-5,11,13H,1,6-8H2.
What are the key properties of 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran?
3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran has a molecular weight of 186.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran is sourced from PubChem (CID 14469122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).