2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate

C18H18O4 — CID 141354412

IUPAC2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O4/c1-13-3-5-15(6-4-13)18(20)16-7-9-17(10-8-16)22-12-11-21-14(2)19/h3-10H,11-12H2,1-2H3
InChIKeyYTQAAJIAJRVQIE-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.17
Rot. Bonds6

About 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate

2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate (PubChem CID 141354412) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate.

Molecular Properties

Compound Name2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate
PubChem CID141354412
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O4/c1-13-3-5-15(6-4-13)18(20)16-7-9-17(10-8-16)22-12-11-21-14(2)19/h3-10H,11-12H2,1-2H3
InChIKeyYTQAAJIAJRVQIE-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]phenyl]methanone
CID 121309000
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
[3-(acetyloxymethyl)-2-[2-(4-methylphenoxy)ethoxy]phenyl]methyl acetate
CID 118047643
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
CID 19792877
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2-[4-[[4-(2-acetyloxyethoxy)phenyl]methylsulfonylmethyl]phenoxy]ethyl acetate
CID 67511513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate?
The IUPAC name of 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate (CID 141354412) is 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate.
What is the SMILES notation for 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate?
The canonical SMILES for 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate is CC(=O)OCCOc1ccc(C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate?
The InChIKey is YTQAAJIAJRVQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13-3-5-15(6-4-13)18(20)16-7-9-17(10-8-16)22-12-11-21-14(2)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate?
2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate has a molecular weight of 298.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate is sourced from PubChem (CID 141354412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).