[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate

C35H40O5Si — CID 170514831

IUPAC[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
SMILESCOc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(O[Si](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H40O5Si/c1-34(2,25-9-17-29(37-5)18-10-25)26-11-19-30(20-12-26)38-33(36)39-31-21-13-27(14-22-31)35(3,4)28-15-23-32(24-16-28)40-41(6,7)8/h9-24H,1-8H3
InChIKeyFYKNSSWESHYTAN-UHFFFAOYSA-N
MW568.79 g/mol
LogP9.14
Rot. Bonds9

About [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate

[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate (PubChem CID 170514831) has the molecular formula C35H40O5Si and a molecular weight of 568.79 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
PubChem CID170514831
Molecular FormulaC35H40O5Si
Molecular Weight568.79 g/mol
Exact Mass568.26
IUPAC Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
SMILESCOc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(O[Si](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H40O5Si/c1-34(2,25-9-17-29(37-5)18-10-25)26-11-19-30(20-12-26)38-33(36)39-31-21-13-27(14-22-31)35(3,4)28-15-23-32(24-16-28)40-41(6,7)8/h9-24H,1-8H3
InChIKeyFYKNSSWESHYTAN-UHFFFAOYSA-N
XLogP9.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.79
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate
CID 162487614
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
CID 140743150
[4-[2-[4-[4-(methoxymethyl)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [4-(methoxymethyl)phenyl] carbonate
CID 59205641
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [4-[2-(4-methoxyphenyl)-2-oxoethyl]phenyl] carbonate
CID 58260459
[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
[4-[2-[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate
CID 59937331
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
The IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate (CID 170514831) is [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate is COc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(O[Si](C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
The InChIKey is FYKNSSWESHYTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O5Si/c1-34(2,25-9-17-29(37-5)18-10-25)26-11-19-30(20-12-26)38-33(36)39-31-21-13-27(14-22-31)35(3,4)28-15-23-32(24-16-28)40-41(6,7)8/h9-24H,1-8H3.
What are the key properties of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate has a molecular weight of 568.79 g/mol, XLogP of 9.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate is sourced from PubChem (CID 170514831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).