propan-2-yl 5-phenoxy-2-propoxybenzoate

C19H22O4 — CID 82552129

IUPACpropan-2-yl 5-phenoxy-2-propoxybenzoate
SMILESCCCOc1ccc(Oc2ccccc2)cc1C(=O)OC(C)C
InChIInChI=1S/C19H22O4/c1-4-12-21-18-11-10-16(23-15-8-6-5-7-9-15)13-17(18)19(20)22-14(2)3/h5-11,13-14H,4,12H2,1-3H3
InChIKeyRQTVOMWZQLIRKB-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.83
Rot. Bonds7

About propan-2-yl 5-phenoxy-2-propoxybenzoate

propan-2-yl 5-phenoxy-2-propoxybenzoate (PubChem CID 82552129) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is propan-2-yl 5-phenoxy-2-propoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-phenoxy-2-propoxybenzoate
PubChem CID82552129
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namepropan-2-yl 5-phenoxy-2-propoxybenzoate
SMILESCCCOc1ccc(Oc2ccccc2)cc1C(=O)OC(C)C
InChIInChI=1S/C19H22O4/c1-4-12-21-18-11-10-16(23-15-8-6-5-7-9-15)13-17(18)19(20)22-14(2)3/h5-11,13-14H,4,12H2,1-3H3
InChIKeyRQTVOMWZQLIRKB-UHFFFAOYSA-N
XLogP4.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 5-phenoxy-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

(E)-4-oxo-4-(5-phenoxy-2-propoxyphenyl)but-2-enoic acid
CID 82267193
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
4-(2-ethoxy-5-phenoxyphenyl)-4-oxobutanoic acid
CID 82267158
methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
CID 82552125
propan-2-yl 3-propoxybenzoate
CID 60979538
propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate
CID 63897464
2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267164
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
ethyl 2-(hydroxyamino)-5-phenoxybenzoate
CID 90258346
(2-butanoyloxy-4-phenoxyphenyl) butanoate
CID 140675552
propan-2-yl 3-methoxy-2-propoxybenzoate
CID 82186231

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-phenoxy-2-propoxybenzoate?
The IUPAC name of propan-2-yl 5-phenoxy-2-propoxybenzoate (CID 82552129) is propan-2-yl 5-phenoxy-2-propoxybenzoate.
What is the SMILES notation for propan-2-yl 5-phenoxy-2-propoxybenzoate?
The canonical SMILES for propan-2-yl 5-phenoxy-2-propoxybenzoate is CCCOc1ccc(Oc2ccccc2)cc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-phenoxy-2-propoxybenzoate?
The InChIKey is RQTVOMWZQLIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-12-21-18-11-10-16(23-15-8-6-5-7-9-15)13-17(18)19(20)22-14(2)3/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of propan-2-yl 5-phenoxy-2-propoxybenzoate?
propan-2-yl 5-phenoxy-2-propoxybenzoate has a molecular weight of 314.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-phenoxy-2-propoxybenzoate is sourced from PubChem (CID 82552129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).