2-methyl-2-phenylmethoxypropanal

C11H14O2 — CID 10986836

IUPAC2-methyl-2-phenylmethoxypropanal
SMILESCC(C)(C=O)OCc1ccccc1
InChIInChI=1S/C11H14O2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyJRXDMMPRRCEHHL-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-2-phenylmethoxypropanal

2-methyl-2-phenylmethoxypropanal (PubChem CID 10986836) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-2-phenylmethoxypropanal.

Molecular Properties

Compound Name2-methyl-2-phenylmethoxypropanal
PubChem CID10986836
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methyl-2-phenylmethoxypropanal
SMILESCC(C)(C=O)OCc1ccccc1
InChIInChI=1S/C11H14O2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyJRXDMMPRRCEHHL-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.18
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

CID 8785
CID 8785
CID 7708
CID 7708
CID 7650
CID 7650
CID 250096
CID 250096
CID 8432
CID 8432
CID 7646
CID 7646
CID 7651
CID 7651
CID 31219
CID 31219
CID 62341
CID 62341
CID 17236
CID 17236
CID 10873
CID 10873
CID 346286
CID 346286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylmethoxypropanal?
The IUPAC name of 2-methyl-2-phenylmethoxypropanal (CID 10986836) is 2-methyl-2-phenylmethoxypropanal.
What is the SMILES notation for 2-methyl-2-phenylmethoxypropanal?
The canonical SMILES for 2-methyl-2-phenylmethoxypropanal is CC(C)(C=O)OCc1ccccc1.
What is the InChIKey of 2-methyl-2-phenylmethoxypropanal?
The InChIKey is JRXDMMPRRCEHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-methyl-2-phenylmethoxypropanal?
2-methyl-2-phenylmethoxypropanal has a molecular weight of 178.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylmethoxypropanal is sourced from PubChem (CID 10986836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).