2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde

C17H18O2 — CID 87257554

IUPAC2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
SMILESCC(C)c1ccccc1OCc1ccccc1C=O
InChIInChI=1S/C17H18O2/c1-13(2)16-9-5-6-10-17(16)19-12-15-8-4-3-7-14(15)11-18/h3-11,13H,12H2,1-2H3
InChIKeyNRIWKFHLLXLALO-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.20
Rot. Bonds5

About 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde

2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde (PubChem CID 87257554) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
PubChem CID87257554
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
SMILESCC(C)c1ccccc1OCc1ccccc1C=O
InChIInChI=1S/C17H18O2/c1-13(2)16-9-5-6-10-17(16)19-12-15-8-4-3-7-14(15)11-18/h3-11,13H,12H2,1-2H3
InChIKeyNRIWKFHLLXLALO-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.20
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

1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine
CID 135021360
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal
CID 126609971
1,1-diethoxyethane;2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257546
2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile
CID 43366521
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde?
The IUPAC name of 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde (CID 87257554) is 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde.
What is the SMILES notation for 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde?
The canonical SMILES for 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde is CC(C)c1ccccc1OCc1ccccc1C=O.
What is the InChIKey of 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde?
The InChIKey is NRIWKFHLLXLALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)16-9-5-6-10-17(16)19-12-15-8-4-3-7-14(15)11-18/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde?
2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde is sourced from PubChem (CID 87257554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).