2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one

C18H15BrO2 — CID 160739386

IUPAC2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one
SMILESCC(C)(Br)C(=O)Cc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C18H15BrO2/c1-18(2,19)16(20)10-11-7-8-13-12-5-3-4-6-14(12)17(21)15(13)9-11/h3-9H,10H2,1-2H3
InChIKeyRVJJDJCUHXSBFW-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one

2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one (PubChem CID 160739386) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one.

Molecular Properties

Compound Name2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one
PubChem CID160739386
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one
SMILESCC(C)(Br)C(=O)Cc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C18H15BrO2/c1-18(2,19)16(20)10-11-7-8-13-12-5-3-4-6-14(12)17(21)15(13)9-11/h3-9H,10H2,1-2H3
InChIKeyRVJJDJCUHXSBFW-UHFFFAOYSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(9-oxofluoren-3-yl)acetate
CID 156673919
3-ethylfluoren-9-one
CID 11344805
dimethyl 2,2-bis[(9,10-dioxoanthracen-2-yl)methyl]propanedioate
CID 4660560
2-propylanthracene-9,10-dione
CID 22643716
2-[(3,3-dimethyl-2-oxobutyl)amino]phenanthrene-9,10-dione
CID 142482266
bis[(9,10-dioxoanthracen-2-yl)methyl] pentanedioate
CID 21120719
2,6-diethylanthracene-9,10-dione
CID 130464580
2,6-bis(hydroxymethyl)anthracene-9,10-dione
CID 68533927
(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 137390827
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
2-(aminooxymethyl)anthracene-9,10-dione
CID 11402535
2-octylanthracene-9,10-dione
CID 141254876

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one?
The IUPAC name of 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one (CID 160739386) is 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one.
What is the SMILES notation for 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one?
The canonical SMILES for 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one is CC(C)(Br)C(=O)Cc1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one?
The InChIKey is RVJJDJCUHXSBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-18(2,19)16(20)10-11-7-8-13-12-5-3-4-6-14(12)17(21)15(13)9-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one?
2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one has a molecular weight of 343.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-3-methyl-2-oxobutyl)fluoren-9-one is sourced from PubChem (CID 160739386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).