methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate

C19H18O5 — CID 2677869

IUPACmethyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H18O5/c1-22-19(21)14-6-8-16(9-7-14)24-18(20)12-23-17-10-5-13-3-2-4-15(13)11-17/h5-11H,2-4,12H2,1H3
InChIKeyMMMSHMOBGVHWOU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.95
Rot. Bonds5

About methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate

methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate (PubChem CID 2677869) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
PubChem CID2677869
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Namemethyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H18O5/c1-22-19(21)14-6-8-16(9-7-14)24-18(20)12-23-17-10-5-13-3-2-4-15(13)11-17/h5-11H,2-4,12H2,1H3
InChIKeyMMMSHMOBGVHWOU-UHFFFAOYSA-N
XLogP2.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate?
The IUPAC name of methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate (CID 2677869) is methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate.
What is the SMILES notation for methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate?
The canonical SMILES for methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate is COC(=O)c1ccc(OC(=O)COc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate?
The InChIKey is MMMSHMOBGVHWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-22-19(21)14-6-8-16(9-7-14)24-18(20)12-23-17-10-5-13-3-2-4-15(13)11-17/h5-11H,2-4,12H2,1H3.
What are the key properties of methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate?
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate has a molecular weight of 326.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate is sourced from PubChem (CID 2677869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).