methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate

C23H22O6 — CID 8868175

IUPACmethyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C23H22O6/c1-26-22(24)12-15-6-8-16(9-7-15)28-23(25)14-27-17-10-11-21-19(13-17)18-4-2-3-5-20(18)29-21/h6-11,13H,2-5,12,14H2,1H3
InChIKeyNPSNXGCTPBFKSX-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.01
Rot. Bonds6

About methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate

methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate (PubChem CID 8868175) has the molecular formula C23H22O6 and a molecular weight of 394.42 g/mol. Its IUPAC name is methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
PubChem CID8868175
Molecular FormulaC23H22O6
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Namemethyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C23H22O6/c1-26-22(24)12-15-6-8-16(9-7-15)28-23(25)14-27-17-10-11-21-19(13-17)18-4-2-3-5-20(18)29-21/h6-11,13H,2-5,12,14H2,1H3
InChIKeyNPSNXGCTPBFKSX-UHFFFAOYSA-N
XLogP4.01
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate with MolForge

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Related Compounds

[4-(2-methoxyethyl)phenyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8867276
(4-cyanophenyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8765893
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
(3-fluoro-4-methoxyphenyl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18288272
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 41261420
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18206466
methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
CID 34073127
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate (CID 8868175) is methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate is COC(=O)Cc1ccc(OC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1.
What is the InChIKey of methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate?
The InChIKey is NPSNXGCTPBFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6/c1-26-22(24)12-15-6-8-16(9-7-15)28-23(25)14-27-17-10-11-21-19(13-17)18-4-2-3-5-20(18)29-21/h6-11,13H,2-5,12,14H2,1H3.
What are the key properties of methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate?
methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate has a molecular weight of 394.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate is sourced from PubChem (CID 8868175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).