1-(2-bromophenyl)propan-1-one

C9H9BrO — CID 6454392

IUPAC1-(2-bromophenyl)propan-1-one
SMILESCCC(=O)c1ccccc1Br
InChIInChI=1S/C9H9BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKeySFCCOHHWKRVDHH-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.04
Rot. Bonds2

About 1-(2-bromophenyl)propan-1-one

1-(2-bromophenyl)propan-1-one (PubChem CID 6454392) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)propan-1-one
PubChem CID6454392
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name1-(2-bromophenyl)propan-1-one
SMILESCCC(=O)c1ccccc1Br
InChIInChI=1S/C9H9BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKeySFCCOHHWKRVDHH-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)propan-1-one?
The IUPAC name of 1-(2-bromophenyl)propan-1-one (CID 6454392) is 1-(2-bromophenyl)propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)propan-1-one is CCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)propan-1-one?
The InChIKey is SFCCOHHWKRVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3.
What are the key properties of 1-(2-bromophenyl)propan-1-one?
1-(2-bromophenyl)propan-1-one has a molecular weight of 213.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)propan-1-one is sourced from PubChem (CID 6454392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).