4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene

C29H28O4 — CID 118041037

IUPAC4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C29H28O4/c1-30-25-17-15-23(19-27(25)32-3)29(21-11-7-5-8-12-21,22-13-9-6-10-14-22)24-16-18-26(31-2)28(20-24)33-4/h5-20H,1-4H3
InChIKeyBRMAPRZVVBSAAU-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.10
Rot. Bonds8

About 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene

4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene (PubChem CID 118041037) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
PubChem CID118041037
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C29H28O4/c1-30-25-17-15-23(19-27(25)32-3)29(21-11-7-5-8-12-21,22-13-9-6-10-14-22)24-16-18-26(31-2)28(20-24)33-4/h5-20H,1-4H3
InChIKeyBRMAPRZVVBSAAU-UHFFFAOYSA-N
XLogP6.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
4-[(4-amino-3-methoxy-5-methylphenyl)-phenyl-(4-phenylphenyl)methyl]-2-methoxy-6-methylaniline
CID 146643564
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
CID 54231735
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 24688900
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
diethyl (Z)-2-(2-methoxy-5-tritylphenyl)but-2-enedioate
CID 177488887
2,4-dimethoxy-1-trityloxybenzene
CID 67899248

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene (CID 118041037) is 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene is COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene?
The InChIKey is BRMAPRZVVBSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-30-25-17-15-23(19-27(25)32-3)29(21-11-7-5-8-12-21,22-13-9-6-10-14-22)24-16-18-26(31-2)28(20-24)33-4/h5-20H,1-4H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene?
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene has a molecular weight of 440.54 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 118041037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).