5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde

C16H15BrO2 — CID 112620614

IUPAC5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCCc1ccccc1
InChIInChI=1S/C16H15BrO2/c1-12-9-15(17)10-14(11-18)16(12)19-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3
InChIKeyYETRIVDAQADBDO-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds5

About 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde

5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde (PubChem CID 112620614) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
PubChem CID112620614
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCCc1ccccc1
InChIInChI=1S/C16H15BrO2/c1-12-9-15(17)10-14(11-18)16(12)19-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3
InChIKeyYETRIVDAQADBDO-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.19
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-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
5-bromo-2-(3-hydroxypropoxy)-3-methylbenzaldehyde
CID 112620620
5-bromo-3-methyl-2-(3-methylbutoxy)benzaldehyde
CID 112620578
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-but-3-ynoxy-3-methylbenzaldehyde
CID 112620590
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
CID 54849840
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
5-bromo-3-methyl-2-(3-methylbut-3-enoxy)benzaldehyde
CID 114472688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde?
The IUPAC name of 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde (CID 112620614) is 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde?
The canonical SMILES for 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde is Cc1cc(Br)cc(C=O)c1OCCc1ccccc1.
What is the InChIKey of 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde?
The InChIKey is YETRIVDAQADBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-12-9-15(17)10-14(11-18)16(12)19-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde?
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde has a molecular weight of 319.20 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde is sourced from PubChem (CID 112620614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).