7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one

C14H17BrO — CID 123346788

IUPAC7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one
SMILESCc1cc(C(C)C)c(Br)c2c1CC(C)C2=O
InChIInChI=1S/C14H17BrO/c1-7(2)10-5-8(3)11-6-9(4)14(16)12(11)13(10)15/h5,7,9H,6H2,1-4H3
InChIKeyNFYLOGFCXDDTKI-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.26
Rot. Bonds1

About 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one

7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 123346788) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID123346788
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one
SMILESCc1cc(C(C)C)c(Br)c2c1CC(C)C2=O
InChIInChI=1S/C14H17BrO/c1-7(2)10-5-8(3)11-6-9(4)14(16)12(11)13(10)15/h5,7,9H,6H2,1-4H3
InChIKeyNFYLOGFCXDDTKI-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one (CID 123346788) is 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one is Cc1cc(C(C)C)c(Br)c2c1CC(C)C2=O.
What is the InChIKey of 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is NFYLOGFCXDDTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c1-7(2)10-5-8(3)11-6-9(4)14(16)12(11)13(10)15/h5,7,9H,6H2,1-4H3.
What are the key properties of 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one?
7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 281.19 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 123346788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).