2-methoxy-2-phenylacetaldehyde

C9H10O2 — CID 11643951

IUPAC2-methoxy-2-phenylacetaldehyde
SMILESCOC(C=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyYIUPEMZFEIYROV-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.57
Rot. Bonds3

About 2-methoxy-2-phenylacetaldehyde

2-methoxy-2-phenylacetaldehyde (PubChem CID 11643951) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methoxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-phenylacetaldehyde
PubChem CID11643951
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methoxy-2-phenylacetaldehyde
SMILESCOC(C=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyYIUPEMZFEIYROV-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Methoxyphenylacetic acid
CID 107202
alpha-Methylbenzyl butyrate
CID 570574
Benzyl laurate
CID 8791
Benzyl octanoate
CID 82511
1-Phenylpropyl butyrate
CID 61447
Benzyl caprate
CID 562246
METHYL beta-PHENYLGLYCIDATE
CID 86834
Methyl Benzoin
CID 98097
Benzoin ethyl ether
CID 101778
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
(+)-O-Acetyl-L-mandelic Acid
CID 6923379

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenylacetaldehyde?
The IUPAC name of 2-methoxy-2-phenylacetaldehyde (CID 11643951) is 2-methoxy-2-phenylacetaldehyde.
What is the SMILES notation for 2-methoxy-2-phenylacetaldehyde?
The canonical SMILES for 2-methoxy-2-phenylacetaldehyde is COC(C=O)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenylacetaldehyde?
The InChIKey is YIUPEMZFEIYROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 2-methoxy-2-phenylacetaldehyde?
2-methoxy-2-phenylacetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenylacetaldehyde is sourced from PubChem (CID 11643951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).