4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde

C18H18O3 — CID 145003419

IUPAC4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde
SMILESCOC(C)(C)c1ccc(C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C18H18O3/c1-18(2,21-3)16-10-8-15(9-11-16)17(20)14-6-4-13(12-19)5-7-14/h4-12H,1-3H3
InChIKeyNOYXISPXWLQXOG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.61
Rot. Bonds5

About 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde

4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde (PubChem CID 145003419) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde
PubChem CID145003419
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde
SMILESCOC(C)(C)c1ccc(C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C18H18O3/c1-18(2,21-3)16-10-8-15(9-11-16)17(20)14-6-4-13(12-19)5-7-14/h4-12H,1-3H3
InChIKeyNOYXISPXWLQXOG-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.61
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

[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
4-formylbenzoic acid;methoxymethane
CID 145138975
ethane;methyl 4-formylbenzoate
CID 91069506
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
ethyl 4-(2-methoxypropan-2-yl)benzoate
CID 140896338
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
azanium 4-formylbenzoic acid
CID 21271797
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde?
The IUPAC name of 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde (CID 145003419) is 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde.
What is the SMILES notation for 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde?
The canonical SMILES for 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde is COC(C)(C)c1ccc(C(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde?
The InChIKey is NOYXISPXWLQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-18(2,21-3)16-10-8-15(9-11-16)17(20)14-6-4-13(12-19)5-7-14/h4-12H,1-3H3.
What are the key properties of 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde?
4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde is sourced from PubChem (CID 145003419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).