2-methoxy-2-phenylmethoxyacetaldehyde

C10H12O3 — CID 87601586

IUPAC2-methoxy-2-phenylmethoxyacetaldehyde
SMILESCOC(C=O)OCc1ccccc1
InChIInChI=1S/C10H12O3/c1-12-10(7-11)13-8-9-5-3-2-4-6-9/h2-7,10H,8H2,1H3
InChIKeySUXHOOLVJSAOGF-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.37
Rot. Bonds5

About 2-methoxy-2-phenylmethoxyacetaldehyde

2-methoxy-2-phenylmethoxyacetaldehyde (PubChem CID 87601586) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-methoxy-2-phenylmethoxyacetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-phenylmethoxyacetaldehyde
PubChem CID87601586
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-methoxy-2-phenylmethoxyacetaldehyde
SMILESCOC(C=O)OCc1ccccc1
InChIInChI=1S/C10H12O3/c1-12-10(7-11)13-8-9-5-3-2-4-6-9/h2-7,10H,8H2,1H3
InChIKeySUXHOOLVJSAOGF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809
3-phenylmethoxypentanedial
CID 154678181
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal
CID 11313391
[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
CID 57002488
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde
CID 146351688
4-hydroxy-2-phenylmethoxypentanal
CID 150721664

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenylmethoxyacetaldehyde?
The IUPAC name of 2-methoxy-2-phenylmethoxyacetaldehyde (CID 87601586) is 2-methoxy-2-phenylmethoxyacetaldehyde.
What is the SMILES notation for 2-methoxy-2-phenylmethoxyacetaldehyde?
The canonical SMILES for 2-methoxy-2-phenylmethoxyacetaldehyde is COC(C=O)OCc1ccccc1.
What is the InChIKey of 2-methoxy-2-phenylmethoxyacetaldehyde?
The InChIKey is SUXHOOLVJSAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-10(7-11)13-8-9-5-3-2-4-6-9/h2-7,10H,8H2,1H3.
What are the key properties of 2-methoxy-2-phenylmethoxyacetaldehyde?
2-methoxy-2-phenylmethoxyacetaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenylmethoxyacetaldehyde is sourced from PubChem (CID 87601586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).