2-(4-benzylphenoxy)acetaldehyde;methanol

C16H18O3 — CID 142103136

IUPAC2-(4-benzylphenoxy)acetaldehyde;methanol
SMILESCO.O=CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H14O2.CH4O/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;1-2/h1-10H,11-12H2;2H,1H3
InChIKeyAXWYLWOHOZGPOB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds5

About 2-(4-benzylphenoxy)acetaldehyde;methanol

2-(4-benzylphenoxy)acetaldehyde;methanol (PubChem CID 142103136) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)acetaldehyde;methanol.

Molecular Properties

Compound Name2-(4-benzylphenoxy)acetaldehyde;methanol
PubChem CID142103136
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(4-benzylphenoxy)acetaldehyde;methanol
SMILESCO.O=CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H14O2.CH4O/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;1-2/h1-10H,11-12H2;2H,1H3
InChIKeyAXWYLWOHOZGPOB-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzylphenoxy)acetaldehyde;methanol?
The IUPAC name of 2-(4-benzylphenoxy)acetaldehyde;methanol (CID 142103136) is 2-(4-benzylphenoxy)acetaldehyde;methanol.
What is the SMILES notation for 2-(4-benzylphenoxy)acetaldehyde;methanol?
The canonical SMILES for 2-(4-benzylphenoxy)acetaldehyde;methanol is CO.O=CCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)acetaldehyde;methanol?
The InChIKey is AXWYLWOHOZGPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.CH4O/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13;1-2/h1-10H,11-12H2;2H,1H3.
What are the key properties of 2-(4-benzylphenoxy)acetaldehyde;methanol?
2-(4-benzylphenoxy)acetaldehyde;methanol has a molecular weight of 258.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)acetaldehyde;methanol is sourced from PubChem (CID 142103136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).