(2S)-2-(phenylmethoxymethoxy)propanal

C11H14O3 — CID 10997886

IUPAC(2S)-2-(phenylmethoxymethoxy)propanal
SMILESC[C@@H](C=O)OCOCc1ccccc1
InChIInChI=1S/C11H14O3/c1-10(7-12)14-9-13-8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyHOLIWIAOUNQYRC-JTQLQIEISA-N
MW194.23 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-(phenylmethoxymethoxy)propanal

(2S)-2-(phenylmethoxymethoxy)propanal (PubChem CID 10997886) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethoxy)propanal.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethoxy)propanal
PubChem CID10997886
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S)-2-(phenylmethoxymethoxy)propanal
SMILESC[C@@H](C=O)OCOCc1ccccc1
InChIInChI=1S/C11H14O3/c1-10(7-12)14-9-13-8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m0/s1
InChIKeyHOLIWIAOUNQYRC-JTQLQIEISA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxymethoxy)propanal?
The IUPAC name of (2S)-2-(phenylmethoxymethoxy)propanal (CID 10997886) is (2S)-2-(phenylmethoxymethoxy)propanal.
What is the SMILES notation for (2S)-2-(phenylmethoxymethoxy)propanal?
The canonical SMILES for (2S)-2-(phenylmethoxymethoxy)propanal is C[C@@H](C=O)OCOCc1ccccc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethoxy)propanal?
The InChIKey is HOLIWIAOUNQYRC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O3/c1-10(7-12)14-9-13-8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethoxy)propanal?
(2S)-2-(phenylmethoxymethoxy)propanal has a molecular weight of 194.23 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxymethoxy)propanal is sourced from PubChem (CID 10997886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).