[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate

C26H24O8 — CID 144750312

IUPAC[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate
SMILESCCCC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C26H24O8/c1-4-5-24(27)32-19-11-13-21(14-12-19)33-25(28)17-6-9-20(10-7-17)34-26(29)18-8-15-22(30-2)23(16-18)31-3/h6-16H,4-5H2,1-3H3
InChIKeyGDSSBCPVQWYALW-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.85
Rot. Bonds9

About [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate

[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate (PubChem CID 144750312) has the molecular formula C26H24O8 and a molecular weight of 464.47 g/mol. Its IUPAC name is [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate
PubChem CID144750312
Molecular FormulaC26H24O8
Molecular Weight464.47 g/mol
Exact Mass464.15
IUPAC Name[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate
SMILESCCCC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C26H24O8/c1-4-5-24(27)32-19-11-13-21(14-12-19)33-25(28)17-6-9-20(10-7-17)34-26(29)18-8-15-22(30-2)23(16-18)31-3/h6-16H,4-5H2,1-3H3
InChIKeyGDSSBCPVQWYALW-UHFFFAOYSA-N
XLogP4.85
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate
CID 3098065
[4-(2-methoxy-2-oxoethyl)phenyl] 3,4-dimethoxybenzoate
CID 51536723
(4-acetylphenyl) 3-ethoxy-4-methoxybenzoate
CID 8764026
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
bis[4-[4-(4-decan-2-yloxycarbonylphenyl)phenoxy]carbonyl-2-methoxyphenyl] hexanedioate
CID 139709823
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
(4-hexylphenyl) 4-(4-bromobenzoyl)oxy-3-methoxybenzoate
CID 71410804
bis[4-(3,4-didecoxybenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 102070228
3-[4-(3,4-dimethoxybenzoyl)oxyphenyl]prop-2-enoic acid
CID 70242776
ethyl 3-methoxy-4-pentanoyloxybenzoate
CID 91527974
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553

Frequently Asked Questions

What is the IUPAC name of [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate?
The IUPAC name of [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate (CID 144750312) is [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate is CCCC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate?
The InChIKey is GDSSBCPVQWYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O8/c1-4-5-24(27)32-19-11-13-21(14-12-19)33-25(28)17-6-9-20(10-7-17)34-26(29)18-8-15-22(30-2)23(16-18)31-3/h6-16H,4-5H2,1-3H3.
What are the key properties of [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate?
[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate has a molecular weight of 464.47 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 144750312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).