propyl 2-(4-butylphenyl)acetate

C15H22O2 — CID 112724824

IUPACpropyl 2-(4-butylphenyl)acetate
SMILESCCCCc1ccc(CC(=O)OCCC)cc1
InChIInChI=1S/C15H22O2/c1-3-5-6-13-7-9-14(10-8-13)12-15(16)17-11-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyDKVGDYIGXJFCSM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.52
Rot. Bonds7

About propyl 2-(4-butylphenyl)acetate

propyl 2-(4-butylphenyl)acetate (PubChem CID 112724824) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is propyl 2-(4-butylphenyl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-butylphenyl)acetate
PubChem CID112724824
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namepropyl 2-(4-butylphenyl)acetate
SMILESCCCCc1ccc(CC(=O)OCCC)cc1
InChIInChI=1S/C15H22O2/c1-3-5-6-13-7-9-14(10-8-13)12-15(16)17-11-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyDKVGDYIGXJFCSM-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-butylphenyl)acetate
CID 10442975
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
decyl 2-[4-(4-propylphenyl)phenyl]acetate
CID 121329523
propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate
CID 19429540
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
2-(4-butylphenyl)ethyl acetate
CID 91655434
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
decyl 2-(4-phenylphenyl)acetate
CID 121280824
2-[2-(4-hydroxy-3-pentylphenyl)acetyl]oxyethyl 2-(4-hydroxy-3-pentylphenyl)acetate
CID 22133493
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-butylphenyl)acetate?
The IUPAC name of propyl 2-(4-butylphenyl)acetate (CID 112724824) is propyl 2-(4-butylphenyl)acetate.
What is the SMILES notation for propyl 2-(4-butylphenyl)acetate?
The canonical SMILES for propyl 2-(4-butylphenyl)acetate is CCCCc1ccc(CC(=O)OCCC)cc1.
What is the InChIKey of propyl 2-(4-butylphenyl)acetate?
The InChIKey is DKVGDYIGXJFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-5-6-13-7-9-14(10-8-13)12-15(16)17-11-4-2/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of propyl 2-(4-butylphenyl)acetate?
propyl 2-(4-butylphenyl)acetate has a molecular weight of 234.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-butylphenyl)acetate is sourced from PubChem (CID 112724824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).