5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde

C16H15BrO2 — CID 141489674

IUPAC5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde
SMILESCCc1cc(Br)ccc1-c1ccc(OC)c(C=O)c1
InChIInChI=1S/C16H15BrO2/c1-3-11-9-14(17)5-6-15(11)12-4-7-16(19-2)13(8-12)10-18/h4-10H,3H2,1-2H3
InChIKeyHIQRZUJGMQILHF-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.50
Rot. Bonds4

About 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde

5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde (PubChem CID 141489674) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde
PubChem CID141489674
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde
SMILESCCc1cc(Br)ccc1-c1ccc(OC)c(C=O)c1
InChIInChI=1S/C16H15BrO2/c1-3-11-9-14(17)5-6-15(11)12-4-7-16(19-2)13(8-12)10-18/h4-10H,3H2,1-2H3
InChIKeyHIQRZUJGMQILHF-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.50
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

5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-[(5-bromo-2-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8808860
2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-bromo-2-methoxybenzaldehyde;N-[(5-bromo-2-methoxyphenyl)methyl]prop-2-yn-1-amine;prop-2-yn-1-amine
CID 159732304
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde
CID 66009536
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
CID 66020620
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde (CID 141489674) is 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde is CCc1cc(Br)ccc1-c1ccc(OC)c(C=O)c1.
What is the InChIKey of 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde?
The InChIKey is HIQRZUJGMQILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-3-11-9-14(17)5-6-15(11)12-4-7-16(19-2)13(8-12)10-18/h4-10H,3H2,1-2H3.
What are the key properties of 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde?
5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde has a molecular weight of 319.20 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-ethylphenyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 141489674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).