8,8-dimethylcyclohepta[b][1]benzofuran

C15H14O — CID 123947483

IUPAC8,8-dimethylcyclohepta[b][1]benzofuran
SMILESCC1(C)C=Cc2oc3ccccc3c2C=C1
InChIInChI=1S/C15H14O/c1-15(2)9-7-12-11-5-3-4-6-13(11)16-14(12)8-10-15/h3-10H,1-2H3
InChIKeyPQYBSITUSNOZTB-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.50
Rot. Bonds

About 8,8-dimethylcyclohepta[b][1]benzofuran

8,8-dimethylcyclohepta[b][1]benzofuran (PubChem CID 123947483) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 8,8-dimethylcyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name8,8-dimethylcyclohepta[b][1]benzofuran
PubChem CID123947483
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name8,8-dimethylcyclohepta[b][1]benzofuran
SMILESCC1(C)C=Cc2oc3ccccc3c2C=C1
InChIInChI=1S/C15H14O/c1-15(2)9-7-12-11-5-3-4-6-13(11)16-14(12)8-10-15/h3-10H,1-2H3
InChIKeyPQYBSITUSNOZTB-UHFFFAOYSA-N
XLogP4.50
TPSA13.14 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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid
CID 152934890
cyclohepta[b][1]benzofuran;ethane
CID 145276239
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672
cyclohepta[b][1]benzofuran
CID 145276240
9,9,11-trimethyl-11-phenyl-21-oxapentacyclo[12.7.0.02,10.03,8.015,20]henicosa-1(14),2(10),3,5,7,12,15,17,19-nonaene
CID 153339852
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
4-[3-[4-(dimethylamino)phenyl]-[1]benzofuro[3,2-f]chromen-3-yl]-N,N-dimethylaniline
CID 54105324
2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one
CID 142882633
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylcyclohepta[b][1]benzofuran?
The IUPAC name of 8,8-dimethylcyclohepta[b][1]benzofuran (CID 123947483) is 8,8-dimethylcyclohepta[b][1]benzofuran.
What is the SMILES notation for 8,8-dimethylcyclohepta[b][1]benzofuran?
The canonical SMILES for 8,8-dimethylcyclohepta[b][1]benzofuran is CC1(C)C=Cc2oc3ccccc3c2C=C1.
What is the InChIKey of 8,8-dimethylcyclohepta[b][1]benzofuran?
The InChIKey is PQYBSITUSNOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-15(2)9-7-12-11-5-3-4-6-13(11)16-14(12)8-10-15/h3-10H,1-2H3.
What are the key properties of 8,8-dimethylcyclohepta[b][1]benzofuran?
8,8-dimethylcyclohepta[b][1]benzofuran has a molecular weight of 210.28 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylcyclohepta[b][1]benzofuran is sourced from PubChem (CID 123947483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).