2-ethoxy-2-phenoxyacetaldehyde

C10H12O3 — CID 173336659

IUPAC2-ethoxy-2-phenoxyacetaldehyde
SMILESCCOC(C=O)Oc1ccccc1
InChIInChI=1S/C10H12O3/c1-2-12-10(8-11)13-9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKeyDTRJJPYBBCBVLZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.63
Rot. Bonds5

About 2-ethoxy-2-phenoxyacetaldehyde

2-ethoxy-2-phenoxyacetaldehyde (PubChem CID 173336659) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-ethoxy-2-phenoxyacetaldehyde.

Molecular Properties

Compound Name2-ethoxy-2-phenoxyacetaldehyde
PubChem CID173336659
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-ethoxy-2-phenoxyacetaldehyde
SMILESCCOC(C=O)Oc1ccccc1
InChIInChI=1S/C10H12O3/c1-2-12-10(8-11)13-9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKeyDTRJJPYBBCBVLZ-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-oxo-1-phenoxyethoxy)-di(propanoyloxy)methyl] propanoate
CID 173390656
2-phenoxypropanedial
CID 54237008
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
3,3-diethoxy-2-phenylpropanal
CID 174566751
2-phenoxyundecanal
CID 57130450
ethoxybenzene;ethoxyethane
CID 67764259
1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
4-ethoxy-2-methylidene-4-phenoxybutanoic acid
CID 66769514
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
diphenyl carbonate;ethoxyethane
CID 67230205

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenoxyacetaldehyde?
The IUPAC name of 2-ethoxy-2-phenoxyacetaldehyde (CID 173336659) is 2-ethoxy-2-phenoxyacetaldehyde.
What is the SMILES notation for 2-ethoxy-2-phenoxyacetaldehyde?
The canonical SMILES for 2-ethoxy-2-phenoxyacetaldehyde is CCOC(C=O)Oc1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenoxyacetaldehyde?
The InChIKey is DTRJJPYBBCBVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-12-10(8-11)13-9-6-4-3-5-7-9/h3-8,10H,2H2,1H3.
What are the key properties of 2-ethoxy-2-phenoxyacetaldehyde?
2-ethoxy-2-phenoxyacetaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenoxyacetaldehyde is sourced from PubChem (CID 173336659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).