(2-ethoxyphenyl) 4-propan-2-ylbenzoate

C18H20O3 — CID 1406532

IUPAC(2-ethoxyphenyl) 4-propan-2-ylbenzoate
SMILESCCOc1ccccc1OC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H20O3/c1-4-20-16-7-5-6-8-17(16)21-18(19)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3
InChIKeyQDMWFLWQGHZXCT-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.43
Rot. Bonds5

About (2-ethoxyphenyl) 4-propan-2-ylbenzoate

(2-ethoxyphenyl) 4-propan-2-ylbenzoate (PubChem CID 1406532) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-ethoxyphenyl) 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 4-propan-2-ylbenzoate
PubChem CID1406532
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2-ethoxyphenyl) 4-propan-2-ylbenzoate
SMILESCCOc1ccccc1OC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H20O3/c1-4-20-16-7-5-6-8-17(16)21-18(19)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3
InChIKeyQDMWFLWQGHZXCT-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.43
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

(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954
(2-ethoxyphenyl) 2-methylbutanoate
CID 118040361
(2-ethoxyphenyl) 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
CID 55771663
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
[2-(1,1-difluoroethoxy)phenyl] 4-[1-(4-ethoxy-2,3,5,6-tetrafluorophenyl)ethyl]benzoate
CID 141308176
(2-hexan-3-ylphenyl) 4-(1-ethoxyethyl)benzoate
CID 54161779
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
(2-chlorophenyl) 4-ethylbenzoate
CID 583746

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 4-propan-2-ylbenzoate?
The IUPAC name of (2-ethoxyphenyl) 4-propan-2-ylbenzoate (CID 1406532) is (2-ethoxyphenyl) 4-propan-2-ylbenzoate.
What is the SMILES notation for (2-ethoxyphenyl) 4-propan-2-ylbenzoate?
The canonical SMILES for (2-ethoxyphenyl) 4-propan-2-ylbenzoate is CCOc1ccccc1OC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (2-ethoxyphenyl) 4-propan-2-ylbenzoate?
The InChIKey is QDMWFLWQGHZXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-20-16-7-5-6-8-17(16)21-18(19)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of (2-ethoxyphenyl) 4-propan-2-ylbenzoate?
(2-ethoxyphenyl) 4-propan-2-ylbenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 4-propan-2-ylbenzoate is sourced from PubChem (CID 1406532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).