4-phenyl-3-propan-2-yloxybenzaldehyde

C16H16O2 — CID 91131108

IUPAC4-phenyl-3-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1cc(C=O)ccc1-c1ccccc1
InChIInChI=1S/C16H16O2/c1-12(2)18-16-10-13(11-17)8-9-15(16)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyAFOZQHCWRQZNKW-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.95
Rot. Bonds4

About 4-phenyl-3-propan-2-yloxybenzaldehyde

4-phenyl-3-propan-2-yloxybenzaldehyde (PubChem CID 91131108) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-phenyl-3-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name4-phenyl-3-propan-2-yloxybenzaldehyde
PubChem CID91131108
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-phenyl-3-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1cc(C=O)ccc1-c1ccccc1
InChIInChI=1S/C16H16O2/c1-12(2)18-16-10-13(11-17)8-9-15(16)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyAFOZQHCWRQZNKW-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.95
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 4-phenyl-3-propan-2-yloxybenzaldehyde?
The IUPAC name of 4-phenyl-3-propan-2-yloxybenzaldehyde (CID 91131108) is 4-phenyl-3-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 4-phenyl-3-propan-2-yloxybenzaldehyde?
The canonical SMILES for 4-phenyl-3-propan-2-yloxybenzaldehyde is CC(C)Oc1cc(C=O)ccc1-c1ccccc1.
What is the InChIKey of 4-phenyl-3-propan-2-yloxybenzaldehyde?
The InChIKey is AFOZQHCWRQZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(2)18-16-10-13(11-17)8-9-15(16)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 4-phenyl-3-propan-2-yloxybenzaldehyde?
4-phenyl-3-propan-2-yloxybenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 91131108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).