2,3-bis(phenylmethoxy)propanal

C17H18O3 — CID 11097604

IUPAC2,3-bis(phenylmethoxy)propanal
SMILESO=CC(COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18O3/c18-11-17(20-13-16-9-5-2-6-10-16)14-19-12-15-7-3-1-4-8-15/h1-11,17H,12-14H2
InChIKeyMKESOGHEPAYRNF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds8

About 2,3-bis(phenylmethoxy)propanal

2,3-bis(phenylmethoxy)propanal (PubChem CID 11097604) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3-bis(phenylmethoxy)propanal.

Molecular Properties

Compound Name2,3-bis(phenylmethoxy)propanal
PubChem CID11097604
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,3-bis(phenylmethoxy)propanal
SMILESO=CC(COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18O3/c18-11-17(20-13-16-9-5-2-6-10-16)14-19-12-15-7-3-1-4-8-15/h1-11,17H,12-14H2
InChIKeyMKESOGHEPAYRNF-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
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 2,3-bis(phenylmethoxy)propanal?
The IUPAC name of 2,3-bis(phenylmethoxy)propanal (CID 11097604) is 2,3-bis(phenylmethoxy)propanal.
What is the SMILES notation for 2,3-bis(phenylmethoxy)propanal?
The canonical SMILES for 2,3-bis(phenylmethoxy)propanal is O=CC(COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2,3-bis(phenylmethoxy)propanal?
The InChIKey is MKESOGHEPAYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-11-17(20-13-16-9-5-2-6-10-16)14-19-12-15-7-3-1-4-8-15/h1-11,17H,12-14H2.
What are the key properties of 2,3-bis(phenylmethoxy)propanal?
2,3-bis(phenylmethoxy)propanal has a molecular weight of 270.33 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylmethoxy)propanal is sourced from PubChem (CID 11097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).