(2R)-2-(4-bromophenyl)propanal

C9H9BrO — CID 39243198

IUPAC(2R)-2-(4-bromophenyl)propanal
SMILESC[C@@H](C=O)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3/t7-/m0/s1
InChIKeyWJTCCULQAHZZRE-ZETCQYMHSA-N
MW213.07 g/mol
LogP2.75
Rot. Bonds2

About (2R)-2-(4-bromophenyl)propanal

(2R)-2-(4-bromophenyl)propanal (PubChem CID 39243198) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)propanal.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)propanal
PubChem CID39243198
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name(2R)-2-(4-bromophenyl)propanal
SMILESC[C@@H](C=O)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3/t7-/m0/s1
InChIKeyWJTCCULQAHZZRE-ZETCQYMHSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
1-bromo-4-but-3-en-2-ylbenzene
CID 575789
2-(4-sulfanylphenyl)propanal
CID 134639265
1-bromo-4-[(2R)-but-3-en-2-yl]benzene
CID 11241287
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
CID 21406740
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
2-(4-bromophenyl)-2-(methylamino)acetaldehyde
CID 116954131
2-(4-amino-3-methylphenyl)propanal
CID 88582796
2-[4-[(dimethylamino)methyl]phenyl]propanal
CID 174405689
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
2-(7-methylnaphthalen-2-yl)propanal
CID 21414815
4-bromo-2-(1-oxopropan-2-yl)benzaldehyde
CID 134640143

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)propanal?
The IUPAC name of (2R)-2-(4-bromophenyl)propanal (CID 39243198) is (2R)-2-(4-bromophenyl)propanal.
What is the SMILES notation for (2R)-2-(4-bromophenyl)propanal?
The canonical SMILES for (2R)-2-(4-bromophenyl)propanal is C[C@@H](C=O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)propanal?
The InChIKey is WJTCCULQAHZZRE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)propanal?
(2R)-2-(4-bromophenyl)propanal has a molecular weight of 213.07 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)propanal is sourced from PubChem (CID 39243198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).