butyl 4-(4-hydroxy-3-methylphenyl)butanoate

C15H22O3 — CID 174757530

IUPACbutyl 4-(4-hydroxy-3-methylphenyl)butanoate
SMILESCCCCOC(=O)CCCc1ccc(O)c(C)c1
InChIInChI=1S/C15H22O3/c1-3-4-10-18-15(17)7-5-6-13-8-9-14(16)12(2)11-13/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyQXHUMOWOVKWLLV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.37
Rot. Bonds7

About butyl 4-(4-hydroxy-3-methylphenyl)butanoate

butyl 4-(4-hydroxy-3-methylphenyl)butanoate (PubChem CID 174757530) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is butyl 4-(4-hydroxy-3-methylphenyl)butanoate.

Molecular Properties

Compound Namebutyl 4-(4-hydroxy-3-methylphenyl)butanoate
PubChem CID174757530
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namebutyl 4-(4-hydroxy-3-methylphenyl)butanoate
SMILESCCCCOC(=O)CCCc1ccc(O)c(C)c1
InChIInChI=1S/C15H22O3/c1-3-4-10-18-15(17)7-5-6-13-8-9-14(16)12(2)11-13/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyQXHUMOWOVKWLLV-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 4-(4-hydroxy-3-methylphenyl)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

octyl 4-(4-hydroxy-3,5-dimethylphenyl)butanoate
CID 67623426
4-butyl-2-methylphenol
CID 10964856
butyl 4-(4-aminophenyl)butanoate
CID 89374601
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
2-methyl-4-octadecylphenol
CID 3022311
tetradecyl 3-(4-hydroxy-3,5-dimethylphenyl)propanoate
CID 118862030
hexadecyl 3-(4-hydroxy-3,5-dimethylphenyl)propanoate
CID 118862125
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
butyl 3-(3,4-difluorophenyl)propanoate
CID 112727101
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146

Frequently Asked Questions

What is the IUPAC name of butyl 4-(4-hydroxy-3-methylphenyl)butanoate?
The IUPAC name of butyl 4-(4-hydroxy-3-methylphenyl)butanoate (CID 174757530) is butyl 4-(4-hydroxy-3-methylphenyl)butanoate.
What is the SMILES notation for butyl 4-(4-hydroxy-3-methylphenyl)butanoate?
The canonical SMILES for butyl 4-(4-hydroxy-3-methylphenyl)butanoate is CCCCOC(=O)CCCc1ccc(O)c(C)c1.
What is the InChIKey of butyl 4-(4-hydroxy-3-methylphenyl)butanoate?
The InChIKey is QXHUMOWOVKWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-4-10-18-15(17)7-5-6-13-8-9-14(16)12(2)11-13/h8-9,11,16H,3-7,10H2,1-2H3.
What are the key properties of butyl 4-(4-hydroxy-3-methylphenyl)butanoate?
butyl 4-(4-hydroxy-3-methylphenyl)butanoate has a molecular weight of 250.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(4-hydroxy-3-methylphenyl)butanoate is sourced from PubChem (CID 174757530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).