cyclohepta[b][1]benzofuran;ethane

C15H14O — CID 145276239

IUPACcyclohepta[b][1]benzofuran;ethane
SMILESC1=CC=Cc2oc3ccccc3c2C=1.CC
InChIInChI=1S/C13H8O.C2H6/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1;1-2/h1,3-9H;1-2H3
InChIKeyWNTATDFGUXIFGQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.65
Rot. Bonds

About cyclohepta[b][1]benzofuran;ethane

cyclohepta[b][1]benzofuran;ethane (PubChem CID 145276239) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is cyclohepta[b][1]benzofuran;ethane.

Molecular Properties

Compound Namecyclohepta[b][1]benzofuran;ethane
PubChem CID145276239
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Namecyclohepta[b][1]benzofuran;ethane
SMILESC1=CC=Cc2oc3ccccc3c2C=1.CC
InChIInChI=1S/C13H8O.C2H6/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1;1-2/h1,3-9H;1-2H3
InChIKeyWNTATDFGUXIFGQ-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclohepta[b][1]benzofuran;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohepta[b][1]benzofuran
CID 145276240
8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672
tetracyclo[13.6.0.02,7.08,14]henicosa-1(15),2,4,6,8(14),9,11,12,18,19-decaene
CID 90876142
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
CID 100942132
CID 100942132
(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
CID 151477234
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105

Frequently Asked Questions

What is the IUPAC name of cyclohepta[b][1]benzofuran;ethane?
The IUPAC name of cyclohepta[b][1]benzofuran;ethane (CID 145276239) is cyclohepta[b][1]benzofuran;ethane.
What is the SMILES notation for cyclohepta[b][1]benzofuran;ethane?
The canonical SMILES for cyclohepta[b][1]benzofuran;ethane is C1=CC=Cc2oc3ccccc3c2C=1.CC.
What is the InChIKey of cyclohepta[b][1]benzofuran;ethane?
The InChIKey is WNTATDFGUXIFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C2H6/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1;1-2/h1,3-9H;1-2H3.
What are the key properties of cyclohepta[b][1]benzofuran;ethane?
cyclohepta[b][1]benzofuran;ethane has a molecular weight of 210.28 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b][1]benzofuran;ethane is sourced from PubChem (CID 145276239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).