2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde

C16H16O3 — CID 91405361

IUPAC2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde
SMILESCOc1cc(C)cc(OC(C=O)c2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12-8-14(18-2)10-15(9-12)19-16(11-17)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyJMHMMEQPTZPSIS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.32
Rot. Bonds5

About 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde

2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde (PubChem CID 91405361) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde
PubChem CID91405361
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde
SMILESCOc1cc(C)cc(OC(C=O)c2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12-8-14(18-2)10-15(9-12)19-16(11-17)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyJMHMMEQPTZPSIS-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
2-[4-(hydroxymethyl)phenoxy]-2-(3-methoxyphenyl)acetaldehyde
CID 87407074
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012
2-methoxy-2-(3-methylphenyl)acetaldehyde
CID 83826728
2-ethoxy-2-(3-methoxyphenyl)acetaldehyde
CID 129199810
1,3-dibenzhydryl-5-methoxy-2-methylbenzene
CID 170203409
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
CID 177454305
3-(3-methoxy-5-methylphenyl)butanal
CID 117283133
3-methoxy-5-methyl-N-phenylaniline
CID 139833752

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde?
The IUPAC name of 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde (CID 91405361) is 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde?
The canonical SMILES for 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde is COc1cc(C)cc(OC(C=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde?
The InChIKey is JMHMMEQPTZPSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-8-14(18-2)10-15(9-12)19-16(11-17)13-6-4-3-5-7-13/h3-11,16H,1-2H3.
What are the key properties of 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde?
2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde is sourced from PubChem (CID 91405361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).