[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate

C30H26O6 — CID 2180640

IUPAC[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc(-c2ccc(OC(=O)COc3ccccc3C)cc2)cc1
InChIInChI=1S/C30H26O6/c1-21-7-3-5-9-27(21)33-19-29(31)35-25-15-11-23(12-16-25)24-13-17-26(18-14-24)36-30(32)20-34-28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3
InChIKeyGSBTXAAHSRLLMT-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.94
Rot. Bonds9

About [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate

[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate (PubChem CID 2180640) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
PubChem CID2180640
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc(-c2ccc(OC(=O)COc3ccccc3C)cc2)cc1
InChIInChI=1S/C30H26O6/c1-21-7-3-5-9-27(21)33-19-29(31)35-25-15-11-23(12-16-25)24-13-17-26(18-14-24)36-30(32)20-34-28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3
InChIKeyGSBTXAAHSRLLMT-UHFFFAOYSA-N
XLogP5.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319
[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 2-(2-methylphenoxy)acetate
CID 8928456
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate
CID 4813561
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate
CID 23937192
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate (CID 2180640) is [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)Oc1ccc(-c2ccc(OC(=O)COc3ccccc3C)cc2)cc1.
What is the InChIKey of [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate?
The InChIKey is GSBTXAAHSRLLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-21-7-3-5-9-27(21)33-19-29(31)35-25-15-11-23(12-16-25)24-13-17-26(18-14-24)36-30(32)20-34-28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3.
What are the key properties of [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate?
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate has a molecular weight of 482.53 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 2180640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).