5-phenyl-2-(2-phenylethoxy)benzaldehyde

C21H18O2 — CID 54795068

IUPAC5-phenyl-2-(2-phenylethoxy)benzaldehyde
SMILESO=Cc1cc(-c2ccccc2)ccc1OCCc1ccccc1
InChIInChI=1S/C21H18O2/c22-16-20-15-19(18-9-5-2-6-10-18)11-12-21(20)23-14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2
InChIKeyXBKSKZMZTLBFBE-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.79
Rot. Bonds6

About 5-phenyl-2-(2-phenylethoxy)benzaldehyde

5-phenyl-2-(2-phenylethoxy)benzaldehyde (PubChem CID 54795068) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylethoxy)benzaldehyde.

Molecular Properties

Compound Name5-phenyl-2-(2-phenylethoxy)benzaldehyde
PubChem CID54795068
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name5-phenyl-2-(2-phenylethoxy)benzaldehyde
SMILESO=Cc1cc(-c2ccccc2)ccc1OCCc1ccccc1
InChIInChI=1S/C21H18O2/c22-16-20-15-19(18-9-5-2-6-10-18)11-12-21(20)23-14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2
InChIKeyXBKSKZMZTLBFBE-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.79
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-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
CID 54795214
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
tert-butyl 4-(3-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183614
2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
CID 54795080
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
CID 87737379
1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene
CID 175542681
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
5-bromo-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60892649
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(2-phenylethoxy)benzaldehyde?
The IUPAC name of 5-phenyl-2-(2-phenylethoxy)benzaldehyde (CID 54795068) is 5-phenyl-2-(2-phenylethoxy)benzaldehyde.
What is the SMILES notation for 5-phenyl-2-(2-phenylethoxy)benzaldehyde?
The canonical SMILES for 5-phenyl-2-(2-phenylethoxy)benzaldehyde is O=Cc1cc(-c2ccccc2)ccc1OCCc1ccccc1.
What is the InChIKey of 5-phenyl-2-(2-phenylethoxy)benzaldehyde?
The InChIKey is XBKSKZMZTLBFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-16-20-15-19(18-9-5-2-6-10-18)11-12-21(20)23-14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2.
What are the key properties of 5-phenyl-2-(2-phenylethoxy)benzaldehyde?
5-phenyl-2-(2-phenylethoxy)benzaldehyde has a molecular weight of 302.37 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylethoxy)benzaldehyde is sourced from PubChem (CID 54795068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).