3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene

C18H15Br — CID 102054673

IUPAC3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene
SMILESC=C(C)C1C(c2ccccc2)=C(Br)c2ccccc21
InChIInChI=1S/C18H15Br/c1-12(2)16-14-10-6-7-11-15(14)18(19)17(16)13-8-4-3-5-9-13/h3-11,16H,1H2,2H3
InChIKeyQORVIFCELXMDHE-UHFFFAOYSA-N
MW311.22 g/mol
LogP5.62
Rot. Bonds2

About 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene

3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene (PubChem CID 102054673) has the molecular formula C18H15Br and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene.

Molecular Properties

Compound Name3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene
PubChem CID102054673
Molecular FormulaC18H15Br
Molecular Weight311.22 g/mol
Exact Mass310.04
IUPAC Name3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene
SMILESC=C(C)C1C(c2ccccc2)=C(Br)c2ccccc21
InChIInChI=1S/C18H15Br/c1-12(2)16-14-10-6-7-11-15(14)18(19)17(16)13-8-4-3-5-9-13/h3-11,16H,1H2,2H3
InChIKeyQORVIFCELXMDHE-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.22
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 102054669
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 135034814
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene
CID 163547179
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
9-but-2-en-2-yl-9H-fluorene
CID 58635963
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene
CID 71373786
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
1-ethyl-3-iodo-2-phenyl-1H-indene
CID 134982592

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The IUPAC name of 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene (CID 102054673) is 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene.
What is the SMILES notation for 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The canonical SMILES for 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene is C=C(C)C1C(c2ccccc2)=C(Br)c2ccccc21.
What is the InChIKey of 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The InChIKey is QORVIFCELXMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br/c1-12(2)16-14-10-6-7-11-15(14)18(19)17(16)13-8-4-3-5-9-13/h3-11,16H,1H2,2H3.
What are the key properties of 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene has a molecular weight of 311.22 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene is sourced from PubChem (CID 102054673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).