4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane

C24H25O4P — CID 91380807

IUPAC4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane
SMILESC=O.CCOP=O.CCc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C21H18O.C2H5O2P.CH2O/c1-2-16-3-7-18(8-4-16)20-11-13-21(14-12-20)19-9-5-17(15-22)6-10-19;1-2-4-5-3;1-2/h3-15H,2H2,1H3;2H2,1H3;1H2
InChIKeySSFSHJIEUKIKEH-UHFFFAOYSA-N
MW408.43 g/mol
LogP6.44
Rot. Bonds6

About 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane

4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane (PubChem CID 91380807) has the molecular formula C24H25O4P and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane.

Molecular Properties

Compound Name4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane
PubChem CID91380807
Molecular FormulaC24H25O4P
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane
SMILESC=O.CCOP=O.CCc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C21H18O.C2H5O2P.CH2O/c1-2-16-3-7-18(8-4-16)20-11-13-21(14-12-20)19-9-5-17(15-22)6-10-19;1-2-4-5-3;1-2/h3-15H,2H2,1H3;2H2,1H3;1H2
InChIKeySSFSHJIEUKIKEH-UHFFFAOYSA-N
XLogP6.44
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(phosphorosooxymethyl)benzaldehyde
CID 153444491
4-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
CID 145127108
[4-(4-ethylphenyl)phenyl] formate
CID 1393715
benzaldehyde;ethane;ethylbenzene
CID 161150062
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde
CID 123457537
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
4-ethenylbenzaldehyde;methoxyethane
CID 142202531
1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780877
4-(4-ethylsulfanylphenyl)benzaldehyde
CID 1392870
6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane?
The IUPAC name of 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane (CID 91380807) is 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane.
What is the SMILES notation for 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane?
The canonical SMILES for 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane is C=O.CCOP=O.CCc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane?
The InChIKey is SSFSHJIEUKIKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O.C2H5O2P.CH2O/c1-2-16-3-7-18(8-4-16)20-11-13-21(14-12-20)19-9-5-17(15-22)6-10-19;1-2-4-5-3;1-2/h3-15H,2H2,1H3;2H2,1H3;1H2.
What are the key properties of 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane?
4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane has a molecular weight of 408.43 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylphenyl)phenyl]benzaldehyde;formaldehyde;1-phosphorosooxyethane is sourced from PubChem (CID 91380807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).