[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate

C25H32O8 — CID 175925760

IUPAC[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate
SMILESCCCc1cc(OC)c(OC(=O)OC)cc1Cc1cc(OC(=O)OC)c(OC)cc1CCC
InChIInChI=1S/C25H32O8/c1-7-9-16-12-20(28-3)22(32-24(26)30-5)14-18(16)11-19-15-23(33-25(27)31-6)21(29-4)13-17(19)10-8-2/h12-15H,7-11H2,1-6H3
InChIKeyDZWRUYVWHPYYKC-UHFFFAOYSA-N
MW460.52 g/mol
LogP5.49
Rot. Bonds10

About [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate

[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate (PubChem CID 175925760) has the molecular formula C25H32O8 and a molecular weight of 460.52 g/mol. Its IUPAC name is [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate.

Molecular Properties

Compound Name[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate
PubChem CID175925760
Molecular FormulaC25H32O8
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC Name[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate
SMILESCCCc1cc(OC)c(OC(=O)OC)cc1Cc1cc(OC(=O)OC)c(OC)cc1CCC
InChIInChI=1S/C25H32O8/c1-7-9-16-12-20(28-3)22(32-24(26)30-5)14-18(16)11-19-15-23(33-25(27)31-6)21(29-4)13-17(19)10-8-2/h12-15H,7-11H2,1-6H3
InChIKeyDZWRUYVWHPYYKC-UHFFFAOYSA-N
XLogP5.49
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate with MolForge

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Related Compounds

(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate
CID 178057151
[4-[2-(4-methoxycarbonyloxy-3-propylphenyl)propan-2-yl]-2-propylphenyl] methyl carbonate
CID 161475917
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
CID 175601571
[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate
CID 11782110
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
bis(2-propylphenyl) carbonate
CID 66781525
(2-ethylphenyl) methyl carbonate
CID 67179071
(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate?
The IUPAC name of [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate (CID 175925760) is [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate.
What is the SMILES notation for [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate?
The canonical SMILES for [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate is CCCc1cc(OC)c(OC(=O)OC)cc1Cc1cc(OC(=O)OC)c(OC)cc1CCC.
What is the InChIKey of [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate?
The InChIKey is DZWRUYVWHPYYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O8/c1-7-9-16-12-20(28-3)22(32-24(26)30-5)14-18(16)11-19-15-23(33-25(27)31-6)21(29-4)13-17(19)10-8-2/h12-15H,7-11H2,1-6H3.
What are the key properties of [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate?
[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate has a molecular weight of 460.52 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate is sourced from PubChem (CID 175925760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).