(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene

C13H17Br — CID 129411438

IUPAC(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
SMILESCC(C)(C)[C@H]1CCc2c(Br)cccc21
InChIInChI=1S/C13H17Br/c1-13(2,3)11-8-7-10-9(11)5-4-6-12(10)14/h4-6,11H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyHOODEZXWIYNQJA-NSHDSACASA-N
MW253.18 g/mol
LogP4.53
Rot. Bonds

About (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene

(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene (PubChem CID 129411438) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
PubChem CID129411438
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
SMILESCC(C)(C)[C@H]1CCc2c(Br)cccc21
InChIInChI=1S/C13H17Br/c1-13(2,3)11-8-7-10-9(11)5-4-6-12(10)14/h4-6,11H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyHOODEZXWIYNQJA-NSHDSACASA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411437
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 70612738
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105460921
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629
4-bromo-1-methoxy-2,3-dihydro-1H-indene;4-(bromomethyl)-1-methoxy-2,3-dihydro-1H-indene
CID 158234236
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593

Frequently Asked Questions

What is the IUPAC name of (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene (CID 129411438) is (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene is CC(C)(C)[C@H]1CCc2c(Br)cccc21.
What is the InChIKey of (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene?
The InChIKey is HOODEZXWIYNQJA-NSHDSACASA-N. The full InChI is InChI=1S/C13H17Br/c1-13(2,3)11-8-7-10-9(11)5-4-6-12(10)14/h4-6,11H,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene?
(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene has a molecular weight of 253.18 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 129411438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).