5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene

C19H21Br — CID 64507895

IUPAC5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene
SMILESBrC(CCCc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C19H21Br/c20-19(17-7-2-1-3-8-17)11-4-6-15-12-13-16-9-5-10-18(16)14-15/h1-3,7-8,12-14,19H,4-6,9-11H2
InChIKeyKFEQYCGZONMBPD-UHFFFAOYSA-N
MW329.28 g/mol
LogP5.63
Rot. Bonds5

About 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene

5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene (PubChem CID 64507895) has the molecular formula C19H21Br and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene
PubChem CID64507895
Molecular FormulaC19H21Br
Molecular Weight329.28 g/mol
Exact Mass328.08
IUPAC Name5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene
SMILESBrC(CCCc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C19H21Br/c20-19(17-7-2-1-3-8-17)11-4-6-15-12-13-16-9-5-10-18(16)14-15/h1-3,7-8,12-14,19H,4-6,9-11H2
InChIKeyKFEQYCGZONMBPD-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
CID 64506775
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
CID 63440354
3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
CID 64515618
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
CID 115864978
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene (CID 64507895) is 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene is BrC(CCCc1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene?
The InChIKey is KFEQYCGZONMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br/c20-19(17-7-2-1-3-8-17)11-4-6-15-12-13-16-9-5-10-18(16)14-15/h1-3,7-8,12-14,19H,4-6,9-11H2.
What are the key properties of 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene?
5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene has a molecular weight of 329.28 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 64507895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).