(1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene

C12H13BrO — CID 67058122

IUPAC(1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene
SMILESC=CCO[C@H]1CCc2c(Br)cccc21
InChIInChI=1S/C12H13BrO/c1-2-8-14-12-7-6-9-10(12)4-3-5-11(9)13/h2-5,12H,1,6-8H2/t12-/m0/s1
InChIKeyZFCISNXRJKFXFX-LBPRGKRZSA-N
MW253.14 g/mol
LogP3.64
Rot. Bonds3

About (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene

(1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene (PubChem CID 67058122) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene
PubChem CID67058122
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name(1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene
SMILESC=CCO[C@H]1CCc2c(Br)cccc21
InChIInChI=1S/C12H13BrO/c1-2-8-14-12-7-6-9-10(12)4-3-5-11(9)13/h2-5,12H,1,6-8H2/t12-/m0/s1
InChIKeyZFCISNXRJKFXFX-LBPRGKRZSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
8-bromo-3,4-dihydro-1H-2-benzopyran
CID 10608622
5-bromo-3,4-dihydro-1H-2-benzopyran
CID 10798626
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
5-Bromo-1,3-dihydro-2-benzofuran
CID 52988095
6-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 57803842

Frequently Asked Questions

What is the IUPAC name of (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene (CID 67058122) is (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene is C=CCO[C@H]1CCc2c(Br)cccc21.
What is the InChIKey of (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene?
The InChIKey is ZFCISNXRJKFXFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13BrO/c1-2-8-14-12-7-6-9-10(12)4-3-5-11(9)13/h2-5,12H,1,6-8H2/t12-/m0/s1.
What are the key properties of (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene?
(1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene has a molecular weight of 253.14 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-bromo-1-prop-2-enoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 67058122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).