cyclohepta[b][1]benzofuran

C13H8O — CID 145276240

IUPACcyclohepta[b][1]benzofuran
SMILESC1=CC=Cc2oc3ccccc3c2C=1
InChIInChI=1S/C13H8O/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h1,3-9H
InChIKeyVXRXTAKICZFOCM-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.63
Rot. Bonds

About cyclohepta[b][1]benzofuran

cyclohepta[b][1]benzofuran (PubChem CID 145276240) has the molecular formula C13H8O and a molecular weight of 180.21 g/mol. Its IUPAC name is cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Namecyclohepta[b][1]benzofuran
PubChem CID145276240
Molecular FormulaC13H8O
Molecular Weight180.21 g/mol
Exact Mass180.06
IUPAC Namecyclohepta[b][1]benzofuran
SMILESC1=CC=Cc2oc3ccccc3c2C=1
InChIInChI=1S/C13H8O/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h1,3-9H
InChIKeyVXRXTAKICZFOCM-UHFFFAOYSA-N
XLogP3.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohepta[b][1]benzofuran;ethane
CID 145276239
8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
cyclohepta[a]naphthalene
CID 143335474
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
CID 100942132
CID 100942132
methylidene(xanthen-9-ylidene)-λ4-sulfane
CID 101030051
3,4-dihydro-[1]benzofuro[3,2-c]pyridine
CID 14030965
(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
CID 151477234

Frequently Asked Questions

What is the IUPAC name of cyclohepta[b][1]benzofuran?
The IUPAC name of cyclohepta[b][1]benzofuran (CID 145276240) is cyclohepta[b][1]benzofuran.
What is the SMILES notation for cyclohepta[b][1]benzofuran?
The canonical SMILES for cyclohepta[b][1]benzofuran is C1=CC=Cc2oc3ccccc3c2C=1.
What is the InChIKey of cyclohepta[b][1]benzofuran?
The InChIKey is VXRXTAKICZFOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h1,3-9H.
What are the key properties of cyclohepta[b][1]benzofuran?
cyclohepta[b][1]benzofuran has a molecular weight of 180.21 g/mol, XLogP of 3.63, 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 is sourced from PubChem (CID 145276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).