bis(2-tert-butyl-4-methoxyphenyl) carbonate

C23H30O5 — CID 168985154

IUPACbis(2-tert-butyl-4-methoxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)Oc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C23H30O5/c1-22(2,3)17-13-15(25-7)9-11-19(17)27-21(24)28-20-12-10-16(26-8)14-18(20)23(4,5)6/h9-14H,1-8H3
InChIKeyUIYDNIYFFFRIFB-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.88
Rot. Bonds4

About bis(2-tert-butyl-4-methoxyphenyl) carbonate

bis(2-tert-butyl-4-methoxyphenyl) carbonate (PubChem CID 168985154) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is bis(2-tert-butyl-4-methoxyphenyl) carbonate.

Molecular Properties

Compound Namebis(2-tert-butyl-4-methoxyphenyl) carbonate
PubChem CID168985154
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Namebis(2-tert-butyl-4-methoxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)Oc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C23H30O5/c1-22(2,3)17-13-15(25-7)9-11-19(17)27-21(24)28-20-12-10-16(26-8)14-18(20)23(4,5)6/h9-14H,1-8H3
InChIKeyUIYDNIYFFFRIFB-UHFFFAOYSA-N
XLogP5.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-4-methoxyphenyl) 2-phenylpropanoate
CID 135368910
(2-tert-butyl-4-methoxyphenyl) 2-(2,4,5-trifluorophenyl)acetate
CID 135369091
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
(2-tert-butyl-4-methoxyphenyl) 3-(4-fluorophenyl)propanoate
CID 135369086
(2-tert-butyl-4-methoxyphenyl) 2-(1-adamantyl)acetate
CID 159232362
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
3-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]propanoic acid
CID 20989882
2-tert-butyl-4-methoxybenzenecarboperoxoic acid
CID 87332679
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4-methoxyphenyl) carbonate?
The IUPAC name of bis(2-tert-butyl-4-methoxyphenyl) carbonate (CID 168985154) is bis(2-tert-butyl-4-methoxyphenyl) carbonate.
What is the SMILES notation for bis(2-tert-butyl-4-methoxyphenyl) carbonate?
The canonical SMILES for bis(2-tert-butyl-4-methoxyphenyl) carbonate is COc1ccc(OC(=O)Oc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of bis(2-tert-butyl-4-methoxyphenyl) carbonate?
The InChIKey is UIYDNIYFFFRIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-22(2,3)17-13-15(25-7)9-11-19(17)27-21(24)28-20-12-10-16(26-8)14-18(20)23(4,5)6/h9-14H,1-8H3.
What are the key properties of bis(2-tert-butyl-4-methoxyphenyl) carbonate?
bis(2-tert-butyl-4-methoxyphenyl) carbonate has a molecular weight of 386.49 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4-methoxyphenyl) carbonate is sourced from PubChem (CID 168985154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).