2-ethyl-4-phenylbenzaldehyde

C15H14O — CID 87968483

IUPAC2-ethyl-4-phenylbenzaldehyde
SMILESCCc1cc(-c2ccccc2)ccc1C=O
InChIInChI=1S/C15H14O/c1-2-12-10-14(8-9-15(12)11-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyZFLYVQVNVXYFPV-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.73
Rot. Bonds3

About 2-ethyl-4-phenylbenzaldehyde

2-ethyl-4-phenylbenzaldehyde (PubChem CID 87968483) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-4-phenylbenzaldehyde.

Molecular Properties

Compound Name2-ethyl-4-phenylbenzaldehyde
PubChem CID87968483
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2-ethyl-4-phenylbenzaldehyde
SMILESCCc1cc(-c2ccccc2)ccc1C=O
InChIInChI=1S/C15H14O/c1-2-12-10-14(8-9-15(12)11-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyZFLYVQVNVXYFPV-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethyl-4-phenylbenzaldehyde?
The IUPAC name of 2-ethyl-4-phenylbenzaldehyde (CID 87968483) is 2-ethyl-4-phenylbenzaldehyde.
What is the SMILES notation for 2-ethyl-4-phenylbenzaldehyde?
The canonical SMILES for 2-ethyl-4-phenylbenzaldehyde is CCc1cc(-c2ccccc2)ccc1C=O.
What is the InChIKey of 2-ethyl-4-phenylbenzaldehyde?
The InChIKey is ZFLYVQVNVXYFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-12-10-14(8-9-15(12)11-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 2-ethyl-4-phenylbenzaldehyde?
2-ethyl-4-phenylbenzaldehyde has a molecular weight of 210.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenylbenzaldehyde is sourced from PubChem (CID 87968483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).