[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate

C24H22O5 — CID 17162277

IUPAC[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)Oc1cccc(C(=O)OCCc2ccccc2)c1
InChIInChI=1S/C24H22O5/c1-2-27-22-14-7-6-13-21(22)24(26)29-20-12-8-11-19(17-20)23(25)28-16-15-18-9-4-3-5-10-18/h3-14,17H,2,15-16H2,1H3
InChIKeyHFCJVUKMCGRDJP-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.70
Rot. Bonds8

About [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate

[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate (PubChem CID 17162277) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
PubChem CID17162277
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)Oc1cccc(C(=O)OCCc2ccccc2)c1
InChIInChI=1S/C24H22O5/c1-2-27-22-14-7-6-13-21(22)24(26)29-20-12-8-11-19(17-20)23(25)28-16-15-18-9-4-3-5-10-18/h3-14,17H,2,15-16H2,1H3
InChIKeyHFCJVUKMCGRDJP-UHFFFAOYSA-N
XLogP4.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.70
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

[3-(3-phenylpropoxycarbonyl)phenyl] 2-ethoxybenzoate
CID 17161444
[3-(2-phenylethoxycarbonyl)phenyl] 5-bromo-2-ethoxybenzoate
CID 17162315
[3-(2-phenylethoxycarbonyl)phenyl] 2-methylbenzoate
CID 17162216
[3-(3-phenylpropoxycarbonyl)phenyl] 2-(2-phenoxyethoxy)benzoate
CID 17161462
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299
[3-(2-phenylethoxycarbonyl)phenyl] 5-bromo-2-methoxybenzoate
CID 17162331
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
[3-(2-phenylethoxycarbonyl)phenyl] 3-bromo-4-propoxybenzoate
CID 17162308
3-(2-propoxybenzoyl)oxybenzoic acid
CID 54854771
[3-(2-methoxyethoxycarbonyl)phenyl] 2-propan-2-yloxybenzoate
CID 17170897
2-phenylethyl 2-butoxybenzoate
CID 141306389

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate?
The IUPAC name of [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate (CID 17162277) is [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate.
What is the SMILES notation for [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate?
The canonical SMILES for [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)Oc1cccc(C(=O)OCCc2ccccc2)c1.
What is the InChIKey of [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate?
The InChIKey is HFCJVUKMCGRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-2-27-22-14-7-6-13-21(22)24(26)29-20-12-8-11-19(17-20)23(25)28-16-15-18-9-4-3-5-10-18/h3-14,17H,2,15-16H2,1H3.
What are the key properties of [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate?
[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate is sourced from PubChem (CID 17162277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).