5-bromo-2-phenylmethoxybenzaldehyde

C14H11BrO2 — CID 733087

IUPAC5-bromo-2-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C14H11BrO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLXYOEDGDQBDZFK-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.84
Rot. Bonds4

About 5-bromo-2-phenylmethoxybenzaldehyde

5-bromo-2-phenylmethoxybenzaldehyde (PubChem CID 733087) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxybenzaldehyde
PubChem CID733087
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name5-bromo-2-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C14H11BrO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLXYOEDGDQBDZFK-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.84
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

Benzaldehyde, 2-ethoxy-
CID 11950
6-Bromoflavone
CID 466276
2-(4-Bromo-2-formylphenoxy)acetic acid
CID 968879
4'-Bromoflavone
CID 1686
2-(2-Acetyl-4-bromophenoxy)acetic acid
CID 19261363
2-(Benzyloxy)benzaldehyde
CID 344784
2-[(2-bromophenyl)methoxy]benzoic Acid
CID 2160985
2,2'-(Ethylenedioxy)dibenzaldehyde
CID 224214
6,3'-Dibromoflavone
CID 10045305
o-Phenoxybenzaldehyde
CID 88060
2-(4-Methoxyphenoxy)benzaldehyde
CID 2767673
2-(3-Bromophenyl)chromen-4-one
CID 493373

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxybenzaldehyde?
The IUPAC name of 5-bromo-2-phenylmethoxybenzaldehyde (CID 733087) is 5-bromo-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 5-bromo-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 5-bromo-2-phenylmethoxybenzaldehyde is O=Cc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-2-phenylmethoxybenzaldehyde?
The InChIKey is LXYOEDGDQBDZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-bromo-2-phenylmethoxybenzaldehyde?
5-bromo-2-phenylmethoxybenzaldehyde has a molecular weight of 291.14 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 733087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).