2-[1-(2-bromophenoxy)ethyl]benzaldehyde

C15H13BrO2 — CID 175163460

IUPAC2-[1-(2-bromophenoxy)ethyl]benzaldehyde
SMILESCC(Oc1ccccc1Br)c1ccccc1C=O
InChIInChI=1S/C15H13BrO2/c1-11(13-7-3-2-6-12(13)10-17)18-15-9-5-4-8-14(15)16/h2-11H,1H3
InChIKeyISLOGXBFEKXDFG-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.40
Rot. Bonds4

About 2-[1-(2-bromophenoxy)ethyl]benzaldehyde

2-[1-(2-bromophenoxy)ethyl]benzaldehyde (PubChem CID 175163460) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-[1-(2-bromophenoxy)ethyl]benzaldehyde.

Molecular Properties

Compound Name2-[1-(2-bromophenoxy)ethyl]benzaldehyde
PubChem CID175163460
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-[1-(2-bromophenoxy)ethyl]benzaldehyde
SMILESCC(Oc1ccccc1Br)c1ccccc1C=O
InChIInChI=1S/C15H13BrO2/c1-11(13-7-3-2-6-12(13)10-17)18-15-9-5-4-8-14(15)16/h2-11H,1H3
InChIKeyISLOGXBFEKXDFG-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[(2R)-but-3-en-2-yl]oxybenzene
CID 11644280
2-(2,4-dimethylpentan-3-yl)benzaldehyde
CID 21290471
2-(dibromomethyl)benzaldehyde
CID 15212101
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
3-bromo-2-but-3-en-2-yloxybenzaldehyde
CID 62384153
1-bromo-2-hexan-3-yloxybenzene
CID 66986707
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
4-(2-bromophenoxy)pentan-2-one
CID 64698957
2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
CID 87257554
3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenoxy)ethyl]benzaldehyde?
The IUPAC name of 2-[1-(2-bromophenoxy)ethyl]benzaldehyde (CID 175163460) is 2-[1-(2-bromophenoxy)ethyl]benzaldehyde.
What is the SMILES notation for 2-[1-(2-bromophenoxy)ethyl]benzaldehyde?
The canonical SMILES for 2-[1-(2-bromophenoxy)ethyl]benzaldehyde is CC(Oc1ccccc1Br)c1ccccc1C=O.
What is the InChIKey of 2-[1-(2-bromophenoxy)ethyl]benzaldehyde?
The InChIKey is ISLOGXBFEKXDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11(13-7-3-2-6-12(13)10-17)18-15-9-5-4-8-14(15)16/h2-11H,1H3.
What are the key properties of 2-[1-(2-bromophenoxy)ethyl]benzaldehyde?
2-[1-(2-bromophenoxy)ethyl]benzaldehyde has a molecular weight of 305.17 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenoxy)ethyl]benzaldehyde is sourced from PubChem (CID 175163460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).