2,4-dimethoxy-1-trityloxybenzene

C27H24O3 — CID 67899248

IUPAC2,4-dimethoxy-1-trityloxybenzene
SMILESCOc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C27H24O3/c1-28-24-18-19-25(26(20-24)29-2)30-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3
InChIKeyQGJWNQFINKWSTO-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.07
Rot. Bonds7

About 2,4-dimethoxy-1-trityloxybenzene

2,4-dimethoxy-1-trityloxybenzene (PubChem CID 67899248) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2,4-dimethoxy-1-trityloxybenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-trityloxybenzene
PubChem CID67899248
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Name2,4-dimethoxy-1-trityloxybenzene
SMILESCOc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C27H24O3/c1-28-24-18-19-25(26(20-24)29-2)30-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3
InChIKeyQGJWNQFINKWSTO-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084833
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-trityloxybenzene?
The IUPAC name of 2,4-dimethoxy-1-trityloxybenzene (CID 67899248) is 2,4-dimethoxy-1-trityloxybenzene.
What is the SMILES notation for 2,4-dimethoxy-1-trityloxybenzene?
The canonical SMILES for 2,4-dimethoxy-1-trityloxybenzene is COc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-trityloxybenzene?
The InChIKey is QGJWNQFINKWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3/c1-28-24-18-19-25(26(20-24)29-2)30-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3.
What are the key properties of 2,4-dimethoxy-1-trityloxybenzene?
2,4-dimethoxy-1-trityloxybenzene has a molecular weight of 396.49 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-trityloxybenzene is sourced from PubChem (CID 67899248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).