2-bromo-4-methyl-3-phenylmethoxybenzaldehyde

C15H13BrO2 — CID 170399941

IUPAC2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
SMILESCc1ccc(C=O)c(Br)c1OCc1ccccc1
InChIInChI=1S/C15H13BrO2/c1-11-7-8-13(9-17)14(16)15(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyQHMYITOBOLZWCR-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.15
Rot. Bonds4

About 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde

2-bromo-4-methyl-3-phenylmethoxybenzaldehyde (PubChem CID 170399941) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
PubChem CID170399941
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
SMILESCc1ccc(C=O)c(Br)c1OCc1ccccc1
InChIInChI=1S/C15H13BrO2/c1-11-7-8-13(9-17)14(16)15(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyQHMYITOBOLZWCR-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde?
The IUPAC name of 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde (CID 170399941) is 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde is Cc1ccc(C=O)c(Br)c1OCc1ccccc1.
What is the InChIKey of 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde?
The InChIKey is QHMYITOBOLZWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11-7-8-13(9-17)14(16)15(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde?
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde has a molecular weight of 305.17 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 170399941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).