3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane

C32H35O3P — CID 90776006

IUPAC3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane
SMILESC=P(c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(OC)C(C)(C)C=O)cc1
InChIInChI=1S/C19H17P.C13H18O3/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-13(2,9-14)12(16-4)10-5-7-11(15-3)8-6-10/h2-16H,1H2;5-9,12H,1-4H3
InChIKeyDUMIQLNGNRIGDD-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.02
Rot. Bonds8

About 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane

3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane (PubChem CID 90776006) has the molecular formula C32H35O3P and a molecular weight of 498.60 g/mol. Its IUPAC name is 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Name3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane
PubChem CID90776006
Molecular FormulaC32H35O3P
Molecular Weight498.60 g/mol
Exact Mass498.23
IUPAC Name3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane
SMILESC=P(c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(OC)C(C)(C)C=O)cc1
InChIInChI=1S/C19H17P.C13H18O3/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-13(2,9-14)12(16-4)10-5-7-11(15-3)8-6-10/h2-16H,1H2;5-9,12H,1-4H3
InChIKeyDUMIQLNGNRIGDD-UHFFFAOYSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
CID 135005803
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
CID 68621070
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015246
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015249
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
anisole;butane;2,2-dimethylpropanal
CID 142135610
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 101399397
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane?
The IUPAC name of 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane (CID 90776006) is 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane.
What is the SMILES notation for 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane?
The canonical SMILES for 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane is C=P(c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(OC)C(C)(C)C=O)cc1.
What is the InChIKey of 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane?
The InChIKey is DUMIQLNGNRIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17P.C13H18O3/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-13(2,9-14)12(16-4)10-5-7-11(15-3)8-6-10/h2-16H,1H2;5-9,12H,1-4H3.
What are the key properties of 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane?
3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane has a molecular weight of 498.60 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane is sourced from PubChem (CID 90776006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).