ethyl 4-(4-hydroxyphenyl)butanoate

C12H16O3 — CID 11333255

IUPACethyl 4-(4-hydroxyphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(O)cc1
InChIInChI=1S/C12H16O3/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3
InChIKeyURBBRTFGJCAELL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-(4-hydroxyphenyl)butanoate

ethyl 4-(4-hydroxyphenyl)butanoate (PubChem CID 11333255) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 4-(4-hydroxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxyphenyl)butanoate
PubChem CID11333255
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 4-(4-hydroxyphenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(O)cc1
InChIInChI=1S/C12H16O3/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3
InChIKeyURBBRTFGJCAELL-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-hydroxyphenyl)butanoate 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

ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
2-hydroxyethyl 4-(4-hydroxyphenyl)butanoate
CID 139668760
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 6-[4-(methylsulfanylmethyl)phenyl]hexanoate
CID 143472880
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxyphenyl)butanoate?
The IUPAC name of ethyl 4-(4-hydroxyphenyl)butanoate (CID 11333255) is ethyl 4-(4-hydroxyphenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-hydroxyphenyl)butanoate?
The canonical SMILES for ethyl 4-(4-hydroxyphenyl)butanoate is CCOC(=O)CCCc1ccc(O)cc1.
What is the InChIKey of ethyl 4-(4-hydroxyphenyl)butanoate?
The InChIKey is URBBRTFGJCAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3.
What are the key properties of ethyl 4-(4-hydroxyphenyl)butanoate?
ethyl 4-(4-hydroxyphenyl)butanoate has a molecular weight of 208.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxyphenyl)butanoate is sourced from PubChem (CID 11333255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).