4-methyl-3,4,5a,9a-tetrahydrodibenzofuran

C13H14O — CID 90120968

IUPAC4-methyl-3,4,5a,9a-tetrahydrodibenzofuran
SMILESCC1CC=CC2=C1OC1C=CC=CC21
InChIInChI=1S/C13H14O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-4,6-10,12H,5H2,1H3
InChIKeyYHOBBHCZVJPIPS-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.98
Rot. Bonds

About 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran

4-methyl-3,4,5a,9a-tetrahydrodibenzofuran (PubChem CID 90120968) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran.

Molecular Properties

Compound Name4-methyl-3,4,5a,9a-tetrahydrodibenzofuran
PubChem CID90120968
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name4-methyl-3,4,5a,9a-tetrahydrodibenzofuran
SMILESCC1CC=CC2=C1OC1C=CC=CC21
InChIInChI=1S/C13H14O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-4,6-10,12H,5H2,1H3
InChIKeyYHOBBHCZVJPIPS-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran?
The IUPAC name of 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran (CID 90120968) is 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran.
What is the SMILES notation for 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran?
The canonical SMILES for 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran is CC1CC=CC2=C1OC1C=CC=CC21.
What is the InChIKey of 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran?
The InChIKey is YHOBBHCZVJPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-4,6-10,12H,5H2,1H3.
What are the key properties of 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran?
4-methyl-3,4,5a,9a-tetrahydrodibenzofuran has a molecular weight of 186.25 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,5a,9a-tetrahydrodibenzofuran is sourced from PubChem (CID 90120968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).