bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate

C23H30O5 — CID 90300394

IUPACbis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate
SMILESCOC(C)c1cc(C)cc(C)c1OC(=O)Oc1c(C)cc(C)cc1C(C)OC
InChIInChI=1S/C23H30O5/c1-13-9-15(3)21(19(11-13)17(5)25-7)27-23(24)28-22-16(4)10-14(2)12-20(22)18(6)26-8/h9-12,17-18H,1-8H3
InChIKeyXOPAZAOIUXVCBJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.91
Rot. Bonds6

About bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate

bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate (PubChem CID 90300394) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate.

Molecular Properties

Compound Namebis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate
PubChem CID90300394
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Namebis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate
SMILESCOC(C)c1cc(C)cc(C)c1OC(=O)Oc1c(C)cc(C)cc1C(C)OC
InChIInChI=1S/C23H30O5/c1-13-9-15(3)21(19(11-13)17(5)25-7)27-23(24)28-22-16(4)10-14(2)12-20(22)18(6)26-8/h9-12,17-18H,1-8H3
InChIKeyXOPAZAOIUXVCBJ-UHFFFAOYSA-N
XLogP5.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.91
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

(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
(2,4,6-trimethylphenyl) 2-amino-3-methylbutanoate
CID 82116665
[4-[2-[4-[4-[2-(3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenoxy]carbonyloxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenyl] [4-[2-(3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenyl] carbonate
CID 135272516
[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate
CID 20778466
2-(2-methoxy-3,5-dimethylphenyl)sulfanylpropanoic acid
CID 116852420
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
(2,4,6-trimethylphenyl) 2-cyanopropanoate
CID 102373533
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182

Frequently Asked Questions

What is the IUPAC name of bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate?
The IUPAC name of bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate (CID 90300394) is bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate.
What is the SMILES notation for bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate?
The canonical SMILES for bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate is COC(C)c1cc(C)cc(C)c1OC(=O)Oc1c(C)cc(C)cc1C(C)OC.
What is the InChIKey of bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate?
The InChIKey is XOPAZAOIUXVCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-13-9-15(3)21(19(11-13)17(5)25-7)27-23(24)28-22-16(4)10-14(2)12-20(22)18(6)26-8/h9-12,17-18H,1-8H3.
What are the key properties of bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate?
bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate has a molecular weight of 386.49 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate is sourced from PubChem (CID 90300394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).