(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal

C23H22O2 — CID 135005803

IUPAC(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
SMILESCOc1ccc([C@@](C)(C=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O2/c1-23(17-24,20-13-15-21(25-2)16-14-20)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3/t23-/m1/s1
InChIKeyRWVAQGLNHGOFBY-HSZRJFAPSA-N
MW330.43 g/mol
LogP4.98
Rot. Bonds6

About (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal

(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal (PubChem CID 135005803) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
PubChem CID135005803
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
SMILESCOc1ccc([C@@](C)(C=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O2/c1-23(17-24,20-13-15-21(25-2)16-14-20)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3/t23-/m1/s1
InChIKeyRWVAQGLNHGOFBY-HSZRJFAPSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.98
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-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal
CID 143671323
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
anisole;butane;2,2-dimethylpropanal
CID 142135610
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal
CID 100913808
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
CID 102355636
CID 102355636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal (CID 135005803) is (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal is COc1ccc([C@@](C)(C=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal?
The InChIKey is RWVAQGLNHGOFBY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22O2/c1-23(17-24,20-13-15-21(25-2)16-14-20)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3/t23-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal?
(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal has a molecular weight of 330.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal is sourced from PubChem (CID 135005803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).