(2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde

C12H16O3 — CID 11218027

IUPAC(2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde
SMILESCCOC(C)O[C@@H](C=O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-14-10(2)15-12(9-13)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/t10?,12-/m0/s1
InChIKeyMQMNEXVULRNNFS-KFJBMODSSA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde

(2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde (PubChem CID 11218027) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde
PubChem CID11218027
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde
SMILESCCOC(C)O[C@@H](C=O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-14-10(2)15-12(9-13)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/t10?,12-/m0/s1
InChIKeyMQMNEXVULRNNFS-KFJBMODSSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.33
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

1-Phenylethyl hexanoate
CID 103018
Methyl 2-methoxy-2-phenylacetate
CID 344720
4-(Diethoxymethyl)benzaldehyde
CID 595993
Ethanone, 2,2-diethoxy-1,2-diphenyl-
CID 3084853
(+)-(R,E)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746754
Benzeneacetic acid, alpha-methoxy-, sodium salt (1:1)
CID 23687864
(2S)-2-(Benzyloxy)propanal
CID 11116387
2-(Methoxymethoxy)-2-phenylacetaldehyde
CID 13662207
(-)-(S,Z)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746755
(-)-(S,E)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24747712
Ethyl 2-methoxy-2-phenylacetate
CID 11819944
Oxiranecarboxaldehyde, 3-phenyl-
CID 11194419

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde?
The IUPAC name of (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde (CID 11218027) is (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde.
What is the SMILES notation for (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde?
The canonical SMILES for (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde is CCOC(C)O[C@@H](C=O)c1ccccc1.
What is the InChIKey of (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde?
The InChIKey is MQMNEXVULRNNFS-KFJBMODSSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-14-10(2)15-12(9-13)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde?
(2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde has a molecular weight of 208.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethoxyethoxy)-2-phenylacetaldehyde is sourced from PubChem (CID 11218027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).