2-(4-butylphenyl)ethyl acetate

C14H20O2 — CID 91655434

IUPAC2-(4-butylphenyl)ethyl acetate
SMILESCCCCc1ccc(CCOC(C)=O)cc1
InChIInChI=1S/C14H20O2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16-12(2)15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyRSTIQKOPFHHBPZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-butylphenyl)ethyl acetate

2-(4-butylphenyl)ethyl acetate (PubChem CID 91655434) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4-butylphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(4-butylphenyl)ethyl acetate
PubChem CID91655434
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(4-butylphenyl)ethyl acetate
SMILESCCCCc1ccc(CCOC(C)=O)cc1
InChIInChI=1S/C14H20O2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16-12(2)15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyRSTIQKOPFHHBPZ-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

2-phenylethyl acetate
CID 7654
2-azulen-6-ylethyl acetate
CID 593065
ethyl 4-(2-acetyloxyethyl)benzoate
CID 70067514
2-acetyloxyethyl acetate;hexane
CID 137406148
acetic acid;2-phenylethyl acetate
CID 174791962
4-(4-iodophenyl)butyl acetate
CID 67358099
propyl 2-(4-butylphenyl)acetate
CID 112724824
heptane;methane;2-(6-methylnaphthalen-2-yl)ethyl acetate
CID 160532911
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
6-(4-chlorophenyl)hexyl acetate
CID 139787467
2-(4-chlorosulfonylphenyl)ethyl acetate
CID 84710851
butyl acetate;4-phenylbutan-2-one
CID 174875943

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)ethyl acetate?
The IUPAC name of 2-(4-butylphenyl)ethyl acetate (CID 91655434) is 2-(4-butylphenyl)ethyl acetate.
What is the SMILES notation for 2-(4-butylphenyl)ethyl acetate?
The canonical SMILES for 2-(4-butylphenyl)ethyl acetate is CCCCc1ccc(CCOC(C)=O)cc1.
What is the InChIKey of 2-(4-butylphenyl)ethyl acetate?
The InChIKey is RSTIQKOPFHHBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16-12(2)15/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)ethyl acetate?
2-(4-butylphenyl)ethyl acetate has a molecular weight of 220.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)ethyl acetate is sourced from PubChem (CID 91655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).