1-methoxy-4-(10-trityloxydecoxymethyl)benzene

C37H44O3 — CID 11284058

IUPAC1-methoxy-4-(10-trityloxydecoxymethyl)benzene
SMILESCOc1ccc(COCCCCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H44O3/c1-38-36-27-25-32(26-28-36)31-39-29-17-6-4-2-3-5-7-18-30-40-37(33-19-11-8-12-20-33,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-16,19-28H,2-7,17-18,29-31H2,1H3
InChIKeyIQNSWFBRILHTSA-UHFFFAOYSA-N
MW536.76 g/mol
LogP9.34
Rot. Bonds18

About 1-methoxy-4-(10-trityloxydecoxymethyl)benzene

1-methoxy-4-(10-trityloxydecoxymethyl)benzene (PubChem CID 11284058) has the molecular formula C37H44O3 and a molecular weight of 536.76 g/mol. Its IUPAC name is 1-methoxy-4-(10-trityloxydecoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(10-trityloxydecoxymethyl)benzene
PubChem CID11284058
Molecular FormulaC37H44O3
Molecular Weight536.76 g/mol
Exact Mass536.33
IUPAC Name1-methoxy-4-(10-trityloxydecoxymethyl)benzene
SMILESCOc1ccc(COCCCCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H44O3/c1-38-36-27-25-32(26-28-36)31-39-29-17-6-4-2-3-5-7-18-30-40-37(33-19-11-8-12-20-33,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-16,19-28H,2-7,17-18,29-31H2,1H3
InChIKeyIQNSWFBRILHTSA-UHFFFAOYSA-N
XLogP9.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175834590
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CID 101026265
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
(E,2S,5R)-5-[(4-methoxyphenyl)methoxymethoxy]-3,4-dimethyl-2-(3-trityloxypropyl)hex-3-en-1-ol
CID 10908097
1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
CID 22177536
tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
CID 15417385
2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(10-trityloxydecoxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(10-trityloxydecoxymethyl)benzene (CID 11284058) is 1-methoxy-4-(10-trityloxydecoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(10-trityloxydecoxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(10-trityloxydecoxymethyl)benzene is COc1ccc(COCCCCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(10-trityloxydecoxymethyl)benzene?
The InChIKey is IQNSWFBRILHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44O3/c1-38-36-27-25-32(26-28-36)31-39-29-17-6-4-2-3-5-7-18-30-40-37(33-19-11-8-12-20-33,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-16,19-28H,2-7,17-18,29-31H2,1H3.
What are the key properties of 1-methoxy-4-(10-trityloxydecoxymethyl)benzene?
1-methoxy-4-(10-trityloxydecoxymethyl)benzene has a molecular weight of 536.76 g/mol, XLogP of 9.34, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(10-trityloxydecoxymethyl)benzene is sourced from PubChem (CID 11284058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).