ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran

C21H20O — CID 142519672

IUPACethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
SMILESC1=CC(c2ccccc2)C=Cc2c1oc1ccccc21.CC
InChIInChI=1S/C19H14O.C2H6/c1-2-6-14(7-3-1)15-10-12-17-16-8-4-5-9-18(16)20-19(17)13-11-15;1-2/h1-13,15H;1-2H3
InChIKeySSNLZGCLVCUWSV-UHFFFAOYSA-N
MW288.39 g/mol
LogP6.28
Rot. Bonds1

About ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran

ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran (PubChem CID 142519672) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Nameethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
PubChem CID142519672
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Nameethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
SMILESC1=CC(c2ccccc2)C=Cc2c1oc1ccccc21.CC
InChIInChI=1S/C19H14O.C2H6/c1-2-6-14(7-3-1)15-10-12-17-16-8-4-5-9-18(16)20-19(17)13-11-15;1-2/h1-13,15H;1-2H3
InChIKeySSNLZGCLVCUWSV-UHFFFAOYSA-N
XLogP6.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
cyclohepta[b][1]benzofuran;ethane
CID 145276239
cyclohepta[b][1]benzofuran
CID 145276240
14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene
CID 142593040
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
CID 151477234
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
2-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 130254123
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2,3-dimethyl-1-benzofuran;ethane
CID 142047308

Frequently Asked Questions

What is the IUPAC name of ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran?
The IUPAC name of ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran (CID 142519672) is ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran.
What is the SMILES notation for ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran?
The canonical SMILES for ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran is C1=CC(c2ccccc2)C=Cc2c1oc1ccccc21.CC.
What is the InChIKey of ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran?
The InChIKey is SSNLZGCLVCUWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C2H6/c1-2-6-14(7-3-1)15-10-12-17-16-8-4-5-9-18(16)20-19(17)13-11-15;1-2/h1-13,15H;1-2H3.
What are the key properties of ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran?
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran has a molecular weight of 288.39 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 142519672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).