2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate

C23H20O3 — CID 7921102

IUPAC2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
SMILESO=C(COc1ccccc1-c1ccccc1)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C23H20O3/c24-23(26-20-14-13-17-9-6-10-19(17)15-20)16-25-22-12-5-4-11-21(22)18-7-2-1-3-8-18/h1-5,7-8,11-15H,6,9-10,16H2
InChIKeyCITUILOBRNKWCV-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.83
Rot. Bonds5

About 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate

2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate (PubChem CID 7921102) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
PubChem CID7921102
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
SMILESO=C(COc1ccccc1-c1ccccc1)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C23H20O3/c24-23(26-20-14-13-17-9-6-10-19(17)15-20)16-25-22-12-5-4-11-21(22)18-7-2-1-3-8-18/h1-5,7-8,11-15H,6,9-10,16H2
InChIKeyCITUILOBRNKWCV-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
CID 7959580
1,3-benzodioxol-5-yl 2-(2-phenylphenoxy)acetate
CID 8766460
5,6,7,8-tetrahydronaphthalen-2-yl 2-(2,3-dimethylphenoxy)acetate
CID 110493676
(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
CID 7741121
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
9H-fluoren-9-yl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234964
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
(2-phenylphenyl) 2-(3-methylphenoxy)acetate
CID 922978
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
5,6,7,8-tetrahydronaphthalen-2-yl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 110493689

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate (CID 7921102) is 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate is O=C(COc1ccccc1-c1ccccc1)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate?
The InChIKey is CITUILOBRNKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c24-23(26-20-14-13-17-9-6-10-19(17)15-20)16-25-22-12-5-4-11-21(22)18-7-2-1-3-8-18/h1-5,7-8,11-15H,6,9-10,16H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate?
2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate has a molecular weight of 344.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 7921102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).