4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one

C10H9BrO2 — CID 71082807

IUPAC4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2c(Br)ccc(O)c2C1=O
InChIInChI=1S/C10H9BrO2/c1-5-4-6-7(11)2-3-8(12)9(6)10(5)13/h2-3,5,12H,4H2,1H3
InChIKeyPNNBDBMKMKXWQH-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.53
Rot. Bonds

About 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one

4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 71082807) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID71082807
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2c(Br)ccc(O)c2C1=O
InChIInChI=1S/C10H9BrO2/c1-5-4-6-7(11)2-3-8(12)9(6)10(5)13/h2-3,5,12H,4H2,1H3
InChIKeyPNNBDBMKMKXWQH-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one (CID 71082807) is 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one is CC1Cc2c(Br)ccc(O)c2C1=O.
What is the InChIKey of 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is PNNBDBMKMKXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-5-4-6-7(11)2-3-8(12)9(6)10(5)13/h2-3,5,12H,4H2,1H3.
What are the key properties of 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one?
4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 241.08 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 71082807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).