2-bromo-4-phenylmethoxybenzaldehyde

C14H11BrO2 — CID 11173819

IUPAC2-bromo-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C14H11BrO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyOJKXIQYCTKIKPG-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-4-phenylmethoxybenzaldehyde

2-bromo-4-phenylmethoxybenzaldehyde (PubChem CID 11173819) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-bromo-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-phenylmethoxybenzaldehyde
PubChem CID11173819
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name2-bromo-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C14H11BrO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyOJKXIQYCTKIKPG-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.84
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

2-bromo-4-(2-phenylmethoxypropoxy)benzaldehyde
CID 87530220
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
2,4-dibromo-3-phenylmethoxybenzaldehyde;ethane
CID 177011073
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-bromo-4-phenylmethoxybenzaldehyde (CID 11173819) is 2-bromo-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-bromo-4-phenylmethoxybenzaldehyde is O=Cc1ccc(OCc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-phenylmethoxybenzaldehyde?
The InChIKey is OJKXIQYCTKIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-bromo-4-phenylmethoxybenzaldehyde?
2-bromo-4-phenylmethoxybenzaldehyde has a molecular weight of 291.14 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 11173819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).