(4-acetylphenyl) 2-propoxybenzoate

C18H18O4 — CID 23011739

IUPAC(4-acetylphenyl) 2-propoxybenzoate
SMILESCCCOc1ccccc1C(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-3-12-21-17-7-5-4-6-16(17)18(20)22-15-10-8-14(9-11-15)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyFPGIHQCPAZZEKV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.90
Rot. Bonds6

About (4-acetylphenyl) 2-propoxybenzoate

(4-acetylphenyl) 2-propoxybenzoate (PubChem CID 23011739) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-acetylphenyl) 2-propoxybenzoate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-propoxybenzoate
PubChem CID23011739
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(4-acetylphenyl) 2-propoxybenzoate
SMILESCCCOc1ccccc1C(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-3-12-21-17-7-5-4-6-16(17)18(20)22-15-10-8-14(9-11-15)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyFPGIHQCPAZZEKV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-acetylphenyl) 2-propoxybenzoate 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

3-(2-propoxybenzoyl)oxybenzoic acid
CID 54854771
(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207715
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
[4-[2-(9-bromononoxy)benzoyl]oxyphenyl] 2-(9-bromononoxy)benzoate
CID 18443744
(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 27147014
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(2-formylphenyl) 2-propoxybenzoate
CID 23011742
(4-acetylphenyl) 2-fluorobenzoate
CID 23011837
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
[4-[4-(1-hexoxy-1-oxopropan-2-yl)oxyphenoxy]carbonylphenyl] 2-octoxybenzoate
CID 70399411
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012077

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-propoxybenzoate?
The IUPAC name of (4-acetylphenyl) 2-propoxybenzoate (CID 23011739) is (4-acetylphenyl) 2-propoxybenzoate.
What is the SMILES notation for (4-acetylphenyl) 2-propoxybenzoate?
The canonical SMILES for (4-acetylphenyl) 2-propoxybenzoate is CCCOc1ccccc1C(=O)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl) 2-propoxybenzoate?
The InChIKey is FPGIHQCPAZZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-12-21-17-7-5-4-6-16(17)18(20)22-15-10-8-14(9-11-15)13(2)19/h4-11H,3,12H2,1-2H3.
What are the key properties of (4-acetylphenyl) 2-propoxybenzoate?
(4-acetylphenyl) 2-propoxybenzoate has a molecular weight of 298.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-propoxybenzoate is sourced from PubChem (CID 23011739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).