4-(3-bromophenoxy)-2-methylbenzaldehyde

C14H11BrO2 — CID 62136616

IUPAC4-(3-bromophenoxy)-2-methylbenzaldehyde
SMILESCc1cc(Oc2cccc(Br)c2)ccc1C=O
InChIInChI=1S/C14H11BrO2/c1-10-7-14(6-5-11(10)9-16)17-13-4-2-3-12(15)8-13/h2-9H,1H3
InChIKeyQPYKPUCQZVADRM-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.36
Rot. Bonds3

About 4-(3-bromophenoxy)-2-methylbenzaldehyde

4-(3-bromophenoxy)-2-methylbenzaldehyde (PubChem CID 62136616) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(3-bromophenoxy)-2-methylbenzaldehyde
PubChem CID62136616
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name4-(3-bromophenoxy)-2-methylbenzaldehyde
SMILESCc1cc(Oc2cccc(Br)c2)ccc1C=O
InChIInChI=1S/C14H11BrO2/c1-10-7-14(6-5-11(10)9-16)17-13-4-2-3-12(15)8-13/h2-9H,1H3
InChIKeyQPYKPUCQZVADRM-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.36
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

4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
CID 63535814
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
CID 43436489
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
2-[2-(3-bromophenoxy)ethoxy]-3-methylbenzaldehyde
CID 115955560
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
methyl 3-(3-bromo-4-formylphenoxy)benzoate
CID 59525517

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-2-methylbenzaldehyde?
The IUPAC name of 4-(3-bromophenoxy)-2-methylbenzaldehyde (CID 62136616) is 4-(3-bromophenoxy)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(3-bromophenoxy)-2-methylbenzaldehyde?
The canonical SMILES for 4-(3-bromophenoxy)-2-methylbenzaldehyde is Cc1cc(Oc2cccc(Br)c2)ccc1C=O.
What is the InChIKey of 4-(3-bromophenoxy)-2-methylbenzaldehyde?
The InChIKey is QPYKPUCQZVADRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-10-7-14(6-5-11(10)9-16)17-13-4-2-3-12(15)8-13/h2-9H,1H3.
What are the key properties of 4-(3-bromophenoxy)-2-methylbenzaldehyde?
4-(3-bromophenoxy)-2-methylbenzaldehyde has a molecular weight of 291.14 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-2-methylbenzaldehyde is sourced from PubChem (CID 62136616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).