3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal

C23H22O2 — CID 174459795

IUPAC3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal
SMILESCc1cccc(C(CC=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H22O2/c1-18-6-5-9-21(16-18)23(14-15-24)20-10-12-22(13-11-20)25-17-19-7-3-2-4-8-19/h2-13,15-16,23H,14,17H2,1H3
InChIKeyBQFGWVLYNGMZDR-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.29
Rot. Bonds7

About 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal

3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal (PubChem CID 174459795) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal.

Molecular Properties

Compound Name3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal
PubChem CID174459795
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal
SMILESCc1cccc(C(CC=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H22O2/c1-18-6-5-9-21(16-18)23(14-15-24)20-10-12-22(13-11-20)25-17-19-7-3-2-4-8-19/h2-13,15-16,23H,14,17H2,1H3
InChIKeyBQFGWVLYNGMZDR-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.29
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

3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
methyl (2R)-4-oxo-2-(4-phenylmethoxyphenyl)butanoate
CID 86314561
methane;1-methyl-3-propan-2-ylbenzene;1-nitro-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 158098146
3-[2,4-bis(phenylmethoxy)phenyl]butanal
CID 138513595
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanal
CID 18357288
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
tert-butyl N-[(1R)-3-oxo-1-(4-phenylmethoxyphenyl)propyl]carbamate
CID 125411765
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
3-(3,5-dimethyl-4-phenylmethoxyphenyl)butanal
CID 117453947

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal?
The IUPAC name of 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal (CID 174459795) is 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal.
What is the SMILES notation for 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal?
The canonical SMILES for 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal is Cc1cccc(C(CC=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal?
The InChIKey is BQFGWVLYNGMZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-18-6-5-9-21(16-18)23(14-15-24)20-10-12-22(13-11-20)25-17-19-7-3-2-4-8-19/h2-13,15-16,23H,14,17H2,1H3.
What are the key properties of 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal?
3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal has a molecular weight of 330.43 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3-(4-phenylmethoxyphenyl)propanal is sourced from PubChem (CID 174459795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).