(4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone

C17H13BrO — CID 11088281

IUPAC(4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone
SMILESC[C@@]1(C(=O)c2ccc(Br)cc2)C=Cc2ccccc21
InChIInChI=1S/C17H13BrO/c1-17(11-10-12-4-2-3-5-15(12)17)16(19)13-6-8-14(18)9-7-13/h2-11H,1H3/t17-/m1/s1
InChIKeyHREJZMYUXLMWCA-QGZVFWFLSA-N
MW313.19 g/mol
LogP4.62
Rot. Bonds2

About (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone

(4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone (PubChem CID 11088281) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone
PubChem CID11088281
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name(4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone
SMILESC[C@@]1(C(=O)c2ccc(Br)cc2)C=Cc2ccccc21
InChIInChI=1S/C17H13BrO/c1-17(11-10-12-4-2-3-5-15(12)17)16(19)13-6-8-14(18)9-7-13/h2-11H,1H3/t17-/m1/s1
InChIKeyHREJZMYUXLMWCA-QGZVFWFLSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone (CID 11088281) is (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone is C[C@@]1(C(=O)c2ccc(Br)cc2)C=Cc2ccccc21.
What is the InChIKey of (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone?
The InChIKey is HREJZMYUXLMWCA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13BrO/c1-17(11-10-12-4-2-3-5-15(12)17)16(19)13-6-8-14(18)9-7-13/h2-11H,1H3/t17-/m1/s1.
What are the key properties of (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone?
(4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone has a molecular weight of 313.19 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(1R)-1-methylinden-1-yl]methanone is sourced from PubChem (CID 11088281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).