2-phenoxyethyl 4-propan-2-yloxybenzoate

C18H20O4 — CID 23011936

IUPAC2-phenoxyethyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCCOc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c1-14(2)22-17-10-8-15(9-11-17)18(19)21-13-12-20-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
InChIKeyZKNVHKJUCPEBRL-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.71
Rot. Bonds7

About 2-phenoxyethyl 4-propan-2-yloxybenzoate

2-phenoxyethyl 4-propan-2-yloxybenzoate (PubChem CID 23011936) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-phenoxyethyl 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 4-propan-2-yloxybenzoate
PubChem CID23011936
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-phenoxyethyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCCOc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c1-14(2)22-17-10-8-15(9-11-17)18(19)21-13-12-20-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
InChIKeyZKNVHKJUCPEBRL-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 3-bromo-4-propan-2-yloxybenzoate
CID 23012974
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540
benzyl 4-propan-2-yloxybenzoate
CID 70079883
1-O-octyl 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 91741815
1-O-(2-anilinoethyl) 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 163743019
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17151563
2-phenoxyethyl 3-(4-pentoxybenzoyl)oxybenzoate
CID 17161856
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-propan-2-yloxyethyl 4-ethoxybenzoate
CID 78790018
2-phenoxyethyl 2-aminopropanoate
CID 61301873
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792
2-phenoxyethyl 4-(cyanomethyl)benzoate
CID 82179689

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 4-propan-2-yloxybenzoate?
The IUPAC name of 2-phenoxyethyl 4-propan-2-yloxybenzoate (CID 23011936) is 2-phenoxyethyl 4-propan-2-yloxybenzoate.
What is the SMILES notation for 2-phenoxyethyl 4-propan-2-yloxybenzoate?
The canonical SMILES for 2-phenoxyethyl 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCCOc2ccccc2)cc1.
What is the InChIKey of 2-phenoxyethyl 4-propan-2-yloxybenzoate?
The InChIKey is ZKNVHKJUCPEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-14(2)22-17-10-8-15(9-11-17)18(19)21-13-12-20-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-phenoxyethyl 4-propan-2-yloxybenzoate?
2-phenoxyethyl 4-propan-2-yloxybenzoate has a molecular weight of 300.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 4-propan-2-yloxybenzoate is sourced from PubChem (CID 23011936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).