1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene

C34H36O4 — CID 22177536

IUPAC1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
SMILESC=CCOC(CCOCc1ccc(OC)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36O4/c1-3-24-37-33(23-25-36-26-28-19-21-32(35-2)22-20-28)27-38-34(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h3-22,33H,1,23-27H2,2H3
InChIKeyIWJUIDOKTOSUKA-UHFFFAOYSA-N
MW508.66 g/mol
LogP7.18
Rot. Bonds15

About 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene

1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene (PubChem CID 22177536) has the molecular formula C34H36O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
PubChem CID22177536
Molecular FormulaC34H36O4
Molecular Weight508.66 g/mol
Exact Mass508.26
IUPAC Name1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
SMILESC=CCOC(CCOCc1ccc(OC)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36O4/c1-3-24-37-33(23-25-36-26-28-19-21-32(35-2)22-20-28)27-38-34(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h3-22,33H,1,23-27H2,2H3
InChIKeyIWJUIDOKTOSUKA-UHFFFAOYSA-N
XLogP7.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
1-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(5-bromopentoxy)propoxy]-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 139633696
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
1-methoxy-4-[[(3R)-3-(2-phenylethynyl)pent-4-enoxy]methyl]benzene
CID 134960594
tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
CID 15417385
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 11471994
N-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-prop-2-ynoxypropoxy]-but-3-enoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 166895211
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
2-phenylmethoxy-3-trityloxypropan-1-olate
CID 140661134
(E,2S,5R)-5-[(4-methoxyphenyl)methoxymethoxy]-3,4-dimethyl-2-(3-trityloxypropyl)hex-3-en-1-ol
CID 10908097

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene?
The IUPAC name of 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene (CID 22177536) is 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene?
The canonical SMILES for 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene is C=CCOC(CCOCc1ccc(OC)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene?
The InChIKey is IWJUIDOKTOSUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O4/c1-3-24-37-33(23-25-36-26-28-19-21-32(35-2)22-20-28)27-38-34(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31/h3-22,33H,1,23-27H2,2H3.
What are the key properties of 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene?
1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene has a molecular weight of 508.66 g/mol, XLogP of 7.18, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene is sourced from PubChem (CID 22177536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).