ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione

C22H27NO3 — CID 144616946

IUPACethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCC.COc1ccc(C)cc1.Cc1ccc(CN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C12H11NO2.C8H10O.C2H6/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12(13)15;1-7-3-5-8(9-2)6-4-7;1-2/h2-7H,8H2,1H3;3-6H,1-2H3;1-2H3
InChIKeyZQGAXHVSMCVUSX-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.45
Rot. Bonds3

About ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione

ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione (PubChem CID 144616946) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
PubChem CID144616946
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Nameethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
SMILESCC.COc1ccc(C)cc1.Cc1ccc(CN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C12H11NO2.C8H10O.C2H6/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12(13)15;1-7-3-5-8(9-2)6-4-7;1-2/h2-7H,8H2,1H3;3-6H,1-2H3;1-2H3
InChIKeyZQGAXHVSMCVUSX-UHFFFAOYSA-N
XLogP4.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methoxyphenyl)methyl]-18-[(4-methylphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 164766706
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
3-(4-methoxyanilino)-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600407
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 4194648
4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 25125116
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
3-(4-chlorophenyl)sulfanyl-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571960
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione (CID 144616946) is ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione is CC.COc1ccc(C)cc1.Cc1ccc(CN2C(=O)C=CC2=O)cc1.
What is the InChIKey of ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is ZQGAXHVSMCVUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.C8H10O.C2H6/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12(13)15;1-7-3-5-8(9-2)6-4-7;1-2/h2-7H,8H2,1H3;3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione?
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 353.46 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 144616946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).