3-(1-bromopropan-2-yloxy)chromen-2-one

C12H11BrO3 — CID 141445966

IUPAC3-(1-bromopropan-2-yloxy)chromen-2-one
SMILESCC(CBr)Oc1cc2ccccc2oc1=O
InChIInChI=1S/C12H11BrO3/c1-8(7-13)15-11-6-9-4-2-3-5-10(9)16-12(11)14/h2-6,8H,7H2,1H3
InChIKeyANLJIVWMCVBGJY-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.96
Rot. Bonds3

About 3-(1-bromopropan-2-yloxy)chromen-2-one

3-(1-bromopropan-2-yloxy)chromen-2-one (PubChem CID 141445966) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(1-bromopropan-2-yloxy)chromen-2-one.

Molecular Properties

Compound Name3-(1-bromopropan-2-yloxy)chromen-2-one
PubChem CID141445966
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name3-(1-bromopropan-2-yloxy)chromen-2-one
SMILESCC(CBr)Oc1cc2ccccc2oc1=O
InChIInChI=1S/C12H11BrO3/c1-8(7-13)15-11-6-9-4-2-3-5-10(9)16-12(11)14/h2-6,8H,7H2,1H3
InChIKeyANLJIVWMCVBGJY-UHFFFAOYSA-N
XLogP2.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(2-chloroethoxy)chromen-2-one
CID 141445941
3-[(2-bromophenyl)methoxy]chromen-2-one
CID 11484334
3-di(propan-2-yloxy)phosphorylchromen-2-one
CID 132918495
3-(2-bromoethyl)chromen-2-one;methanamine
CID 175061055
(2-oxochromen-3-yl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 141062878
(2-oxochromen-3-yl) 4-methylbenzenesulfonate
CID 88654841
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
3-trimethylsilylchromen-2-one
CID 71378789
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromopropan-2-yloxy)chromen-2-one?
The IUPAC name of 3-(1-bromopropan-2-yloxy)chromen-2-one (CID 141445966) is 3-(1-bromopropan-2-yloxy)chromen-2-one.
What is the SMILES notation for 3-(1-bromopropan-2-yloxy)chromen-2-one?
The canonical SMILES for 3-(1-bromopropan-2-yloxy)chromen-2-one is CC(CBr)Oc1cc2ccccc2oc1=O.
What is the InChIKey of 3-(1-bromopropan-2-yloxy)chromen-2-one?
The InChIKey is ANLJIVWMCVBGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-8(7-13)15-11-6-9-4-2-3-5-10(9)16-12(11)14/h2-6,8H,7H2,1H3.
What are the key properties of 3-(1-bromopropan-2-yloxy)chromen-2-one?
3-(1-bromopropan-2-yloxy)chromen-2-one has a molecular weight of 283.12 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromopropan-2-yloxy)chromen-2-one is sourced from PubChem (CID 141445966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).