2-(4-hydroxyphenyl)ethyl pentanoate

C13H18O3 — CID 54186146

IUPAC2-(4-hydroxyphenyl)ethyl pentanoate
SMILESCCCCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C13H18O3/c1-2-3-4-13(15)16-10-9-11-5-7-12(14)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKeyPFGBJASSSCYMEK-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-hydroxyphenyl)ethyl pentanoate

2-(4-hydroxyphenyl)ethyl pentanoate (PubChem CID 54186146) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl pentanoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl pentanoate
PubChem CID54186146
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(4-hydroxyphenyl)ethyl pentanoate
SMILESCCCCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C13H18O3/c1-2-3-4-13(15)16-10-9-11-5-7-12(14)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKeyPFGBJASSSCYMEK-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)ethyl (E)-octadec-9-enoate
CID 21044048
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
2-hydroxyethyl 4-(4-hydroxyphenyl)butanoate
CID 139668760
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-[4-(dimethylamino)phenyl]ethyl dodecanoate
CID 54169047
5-O-[2-(4-fluorophenyl)ethyl] 1-O-heptadecyl pentanedioate
CID 91711478
5-O-[2-(4-bromophenyl)ethyl] 1-O-undecyl pentanedioate
CID 91727911
1-O-decyl 5-O-(2-phenylethyl) pentanedioate
CID 91703319
1-O-nonyl 5-O-(2-phenylethyl) pentanedioate
CID 91703318
2-phenylethyl 2,2-dimethylpropanoate;2-phenylethyl pentanoate
CID 162120236

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl pentanoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl pentanoate (CID 54186146) is 2-(4-hydroxyphenyl)ethyl pentanoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl pentanoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl pentanoate is CCCCC(=O)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl pentanoate?
The InChIKey is PFGBJASSSCYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-3-4-13(15)16-10-9-11-5-7-12(14)8-6-11/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl pentanoate?
2-(4-hydroxyphenyl)ethyl pentanoate has a molecular weight of 222.28 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl pentanoate is sourced from PubChem (CID 54186146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).