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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Related Compounds

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CID 164517324
5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 11687510
4-bromo-7-hydroxy-2-methyl-3H-isoindol-1-one
CID 68660902
4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
CID 143769124
7-bromo-4-hydroxy-2,3-dihydroinden-1-one
CID 20545961
(4aR,9aR)-5,8-dihydroxy-2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
CID 98525501
(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 132500910
5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
CID 14412241
(4R,4aR,5aS,12aR)-7-bromo-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 90939654
5-bromo-8-chloro-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 66159185
7-bromo-2,4-dimethyl-6-propan-2-yl-2,3-dihydroinden-1-one
CID 123346788
4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one
CID 57180286

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).