1-propyl-4-(trityloxymethyl)benzene

C29H28O — CID 129275643

IUPAC1-propyl-4-(trityloxymethyl)benzene
SMILESCCCc1ccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28O/c1-2-12-24-19-21-25(22-20-24)23-30-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h3-11,13-22H,2,12,23H2,1H3
InChIKeyZOKVUXITNPHNPS-UHFFFAOYSA-N
MW392.54 g/mol
LogP7.15
Rot. Bonds8

About 1-propyl-4-(trityloxymethyl)benzene

1-propyl-4-(trityloxymethyl)benzene (PubChem CID 129275643) has the molecular formula C29H28O and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-propyl-4-(trityloxymethyl)benzene.

Molecular Properties

Compound Name1-propyl-4-(trityloxymethyl)benzene
PubChem CID129275643
Molecular FormulaC29H28O
Molecular Weight392.54 g/mol
Exact Mass392.21
IUPAC Name1-propyl-4-(trityloxymethyl)benzene
SMILESCCCc1ccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28O/c1-2-12-24-19-21-25(22-20-24)23-30-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h3-11,13-22H,2,12,23H2,1H3
InChIKeyZOKVUXITNPHNPS-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(trityloxymethyl)phenyl]propan-1-ol
CID 10884059
1-[[diphenyl-(4-propylphenyl)methyl]sulfanyl-diphenylmethyl]-4-propylbenzene
CID 54444176
ethoxymethylbenzene;propylbenzene
CID 174975433
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
2-tert-butylperoxy-2-methylpropane;propylbenzene
CID 161368521
potassium;hydride;propylbenzene
CID 174749122
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
2-(trityloxymethyl)benzenethiol
CID 70041301
2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 90442636
phenol;propylbenzene
CID 18469730

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(trityloxymethyl)benzene?
The IUPAC name of 1-propyl-4-(trityloxymethyl)benzene (CID 129275643) is 1-propyl-4-(trityloxymethyl)benzene.
What is the SMILES notation for 1-propyl-4-(trityloxymethyl)benzene?
The canonical SMILES for 1-propyl-4-(trityloxymethyl)benzene is CCCc1ccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-propyl-4-(trityloxymethyl)benzene?
The InChIKey is ZOKVUXITNPHNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O/c1-2-12-24-19-21-25(22-20-24)23-30-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h3-11,13-22H,2,12,23H2,1H3.
What are the key properties of 1-propyl-4-(trityloxymethyl)benzene?
1-propyl-4-(trityloxymethyl)benzene has a molecular weight of 392.54 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(trityloxymethyl)benzene is sourced from PubChem (CID 129275643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).