2-(4-benzhydryloxyphenyl)acetaldehyde

C21H18O2 — CID 167471683

IUPAC2-(4-benzhydryloxyphenyl)acetaldehyde
SMILESO=CCc1ccc(OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-16-15-17-11-13-20(14-12-17)23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,16,21H,15H2
InChIKeyLYYLHSIYWQTBPQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-benzhydryloxyphenyl)acetaldehyde

2-(4-benzhydryloxyphenyl)acetaldehyde (PubChem CID 167471683) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(4-benzhydryloxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-benzhydryloxyphenyl)acetaldehyde
PubChem CID167471683
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-(4-benzhydryloxyphenyl)acetaldehyde
SMILESO=CCc1ccc(OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-16-15-17-11-13-20(14-12-17)23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,16,21H,15H2
InChIKeyLYYLHSIYWQTBPQ-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
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-(4-benzhydryloxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-benzhydryloxyphenyl)acetaldehyde (CID 167471683) is 2-(4-benzhydryloxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-benzhydryloxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-benzhydryloxyphenyl)acetaldehyde is O=CCc1ccc(OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzhydryloxyphenyl)acetaldehyde?
The InChIKey is LYYLHSIYWQTBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-16-15-17-11-13-20(14-12-17)23-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,16,21H,15H2.
What are the key properties of 2-(4-benzhydryloxyphenyl)acetaldehyde?
2-(4-benzhydryloxyphenyl)acetaldehyde has a molecular weight of 302.37 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydryloxyphenyl)acetaldehyde is sourced from PubChem (CID 167471683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).