2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde

C23H22O2 — CID 172993957

IUPAC2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
SMILESCC(C)c1ccc(-c2cccc(OCc3ccccc3)c2C=O)cc1
InChIInChI=1S/C23H22O2/c1-17(2)19-11-13-20(14-12-19)21-9-6-10-23(22(21)15-24)25-16-18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3
InChIKeyJLYYGQWTLJXHQI-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.87
Rot. Bonds6

About 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde

2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde (PubChem CID 172993957) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
PubChem CID172993957
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
SMILESCC(C)c1ccc(-c2cccc(OCc3ccccc3)c2C=O)cc1
InChIInChI=1S/C23H22O2/c1-17(2)19-11-13-20(14-12-19)21-9-6-10-23(22(21)15-24)25-16-18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3
InChIKeyJLYYGQWTLJXHQI-UHFFFAOYSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.87
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

2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 172993950
2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
CID 172993959
tert-butyl 4-(2-formyl-3-phenylmethoxyphenyl)benzoate
CID 178183494
(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 154814748
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-(1-hexylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993928
2-(1-cyclobutylpyrazol-4-yl)-6-phenylmethoxybenzaldehyde
CID 172993923
2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 59599776
ethyl 2-[4-(2-formyl-3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
CID 172993917
2-(4-aminophenyl)-6-phenylmethoxyaniline
CID 68786338
2-[1-(cyclobutylmethyl)pyrazol-4-yl]-6-phenylmethoxybenzaldehyde
CID 172993925

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
The IUPAC name of 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde (CID 172993957) is 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde.
What is the SMILES notation for 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
The canonical SMILES for 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde is CC(C)c1ccc(-c2cccc(OCc3ccccc3)c2C=O)cc1.
What is the InChIKey of 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
The InChIKey is JLYYGQWTLJXHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-17(2)19-11-13-20(14-12-19)21-9-6-10-23(22(21)15-24)25-16-18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3.
What are the key properties of 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde?
2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde has a molecular weight of 330.43 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde is sourced from PubChem (CID 172993957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).