5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde

C18H19BrO2 — CID 115961814

IUPAC5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H19BrO2/c1-12(2)15-6-4-14(5-7-15)11-21-18-13(3)8-17(19)9-16(18)10-20/h4-10,12H,11H2,1-3H3
InChIKeyICIHLAHSVVONHP-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.27
Rot. Bonds5

About 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde

5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde (PubChem CID 115961814) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
PubChem CID115961814
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H19BrO2/c1-12(2)15-6-4-14(5-7-15)11-21-18-13(3)8-17(19)9-16(18)10-20/h4-10,12H,11H2,1-3H3
InChIKeyICIHLAHSVVONHP-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.27
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-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
CID 112620547
5-bromo-1-(chloromethyl)-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 115962315
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
CID 115961884
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 118408184
5-bromo-3-methyl-2-(3-methylbutoxy)benzaldehyde
CID 112620578
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde (CID 115961814) is 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde is Cc1cc(Br)cc(C=O)c1OCc1ccc(C(C)C)cc1.
What is the InChIKey of 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
The InChIKey is ICIHLAHSVVONHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12(2)15-6-4-14(5-7-15)11-21-18-13(3)8-17(19)9-16(18)10-20/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde?
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde has a molecular weight of 347.25 g/mol, XLogP of 5.27, 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-[(4-propan-2-ylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 115961814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).