(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone

C17H15BrO — CID 106893022

IUPAC(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1cc(Br)cc(C(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C17H15BrO/c1-11-6-14(10-16(18)7-11)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15H,8-9H2,1H3
InChIKeyOBCLYRAUADDVGM-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.36
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone

(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106893022) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106893022
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1cc(Br)cc(C(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C17H15BrO/c1-11-6-14(10-16(18)7-11)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15H,8-9H2,1H3
InChIKeyOBCLYRAUADDVGM-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106893022) is (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is Cc1cc(Br)cc(C(=O)C2Cc3ccccc3C2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is OBCLYRAUADDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO/c1-11-6-14(10-16(18)7-11)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15H,8-9H2,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 315.21 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106893022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).