propan-2-yl 3-(4-ethylphenyl)propanoate

C14H20O2 — CID 112722960

IUPACpropan-2-yl 3-(4-ethylphenyl)propanoate
SMILESCCc1ccc(CCC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-4-12-5-7-13(8-6-12)9-10-14(15)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyFTQAJOZNIKGFDL-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.13
Rot. Bonds5

About propan-2-yl 3-(4-ethylphenyl)propanoate

propan-2-yl 3-(4-ethylphenyl)propanoate (PubChem CID 112722960) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is propan-2-yl 3-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-ethylphenyl)propanoate
PubChem CID112722960
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namepropan-2-yl 3-(4-ethylphenyl)propanoate
SMILESCCc1ccc(CCC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-4-12-5-7-13(8-6-12)9-10-14(15)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyFTQAJOZNIKGFDL-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 3-[4-[4-(3-oxo-3-propan-2-yloxypropyl)-N-(4-phenylphenyl)anilino]phenyl]propanoate
CID 71002358
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 3-[[amino-(4-ethylanilino)methylidene]amino]propanoate
CID 111037110
2-ethoxyethyl 3-(4-ethylphenyl)propanoate
CID 78832078
butan-2-yl 3-phenylpropanoate
CID 562005
propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
CID 90448513
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
propan-2-yl 4-pyridin-4-ylbutanoate
CID 159454853
butan-2-yl 3-(4-chlorosulfonylphenyl)propanoate
CID 65396929
2-[3-(4-aminophenyl)propanoyloxy]butanoic acid
CID 64663009
diethyl 2-[3-(4-hydroxyphenyl)propanoyloxy]propanedioate
CID 14748412

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-ethylphenyl)propanoate?
The IUPAC name of propan-2-yl 3-(4-ethylphenyl)propanoate (CID 112722960) is propan-2-yl 3-(4-ethylphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-(4-ethylphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-(4-ethylphenyl)propanoate is CCc1ccc(CCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 3-(4-ethylphenyl)propanoate?
The InChIKey is FTQAJOZNIKGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-12-5-7-13(8-6-12)9-10-14(15)16-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of propan-2-yl 3-(4-ethylphenyl)propanoate?
propan-2-yl 3-(4-ethylphenyl)propanoate has a molecular weight of 220.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-ethylphenyl)propanoate is sourced from PubChem (CID 112722960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).