1-benzofuran;1H-indene;styrene

C25H22O — CID 158200445

IUPAC1-benzofuran;1H-indene;styrene
SMILESC1=Cc2ccccc2C1.C=Cc1ccccc1.c1ccc2occc2c1
InChIInChI=1S/C9H8.C8H6O.C8H8/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8/h1-6H,7H2;1-6H;2-7H,1H2
InChIKeyGAWCYQRMNLIVFV-UHFFFAOYSA-N
MW338.45 g/mol
LogP7.02
Rot. Bonds1

About 1-benzofuran;1H-indene;styrene

1-benzofuran;1H-indene;styrene (PubChem CID 158200445) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-benzofuran;1H-indene;styrene.

Molecular Properties

Compound Name1-benzofuran;1H-indene;styrene
PubChem CID158200445
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name1-benzofuran;1H-indene;styrene
SMILESC1=Cc2ccccc2C1.C=Cc1ccccc1.c1ccc2occc2c1
InChIInChI=1S/C9H8.C8H6O.C8H8/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8/h1-6H,7H2;1-6H;2-7H,1H2
InChIKeyGAWCYQRMNLIVFV-UHFFFAOYSA-N
XLogP7.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indene;phenol;styrene
CID 68536475
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1-ethenylnaphthalene;1H-indene
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azulene;1H-indene
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hydrogen peroxide;1H-indene;hydrobromide
CID 158452751
copper;1H-indene
CID 175216856
1H-indene;methane
CID 157370172
benzene;1-benzofuran;methane
CID 161455380
1H-indene;methane
CID 22114429
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528
1H-indene;2-methylprop-1-enylbenzene
CID 159355673
1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene
CID 67232908

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1H-indene;styrene?
The IUPAC name of 1-benzofuran;1H-indene;styrene (CID 158200445) is 1-benzofuran;1H-indene;styrene.
What is the SMILES notation for 1-benzofuran;1H-indene;styrene?
The canonical SMILES for 1-benzofuran;1H-indene;styrene is C1=Cc2ccccc2C1.C=Cc1ccccc1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;1H-indene;styrene?
The InChIKey is GAWCYQRMNLIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H6O.C8H8/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8/h1-6H,7H2;1-6H;2-7H,1H2.
What are the key properties of 1-benzofuran;1H-indene;styrene?
1-benzofuran;1H-indene;styrene has a molecular weight of 338.45 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1H-indene;styrene is sourced from PubChem (CID 158200445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).