2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran

C15H14O — CID 91102715

IUPAC2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran
SMILESCC1=CC2=C3C=CC=CC=C3OC2C(C)=C1
InChIInChI=1S/C15H14O/c1-10-8-11(2)15-13(9-10)12-6-4-3-5-7-14(12)16-15/h3-9,15H,1-2H3
InChIKeyFYFBANUOZHLNQZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.60
Rot. Bonds

About 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran

2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran (PubChem CID 91102715) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran
PubChem CID91102715
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran
SMILESCC1=CC2=C3C=CC=CC=C3OC2C(C)=C1
InChIInChI=1S/C15H14O/c1-10-8-11(2)15-13(9-10)12-6-4-3-5-7-14(12)16-15/h3-9,15H,1-2H3
InChIKeyFYFBANUOZHLNQZ-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo[b]pyran
CID 18378161
7,7a-Dihydrobenzofuran
CID 19744327
2H-Cyclohepta[b]furan
CID 71358872
Cyclopentabenzofuran
CID 87131369
Cyclopentachromene
CID 87622378
Indenobenzofuran
CID 88598125
Cyclopenta-[g]-benzo pyrane
CID 89428281
Indeno[5,6-b]furan
CID 129845500
Indeno[1,2-b]furan
CID 139207808
(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
CID 11355996
10-methyl-4aH-benzo[c]chromene
CID 90892570
2h-Cyclopropa benzofuran
CID 129848291

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran?
The IUPAC name of 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran (CID 91102715) is 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran.
What is the SMILES notation for 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran?
The canonical SMILES for 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran is CC1=CC2=C3C=CC=CC=C3OC2C(C)=C1.
What is the InChIKey of 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran?
The InChIKey is FYFBANUOZHLNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10-8-11(2)15-13(9-10)12-6-4-3-5-7-14(12)16-15/h3-9,15H,1-2H3.
What are the key properties of 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran?
2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran has a molecular weight of 210.28 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4aH-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 91102715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).