(4-tert-butylphenyl) 5-hydroxypentanoate

C15H22O3 — CID 585273

IUPAC(4-tert-butylphenyl) 5-hydroxypentanoate
SMILESCC(C)(C)c1ccc(OC(=O)CCCCO)cc1
InChIInChI=1S/C15H22O3/c1-15(2,3)12-7-9-13(10-8-12)18-14(17)6-4-5-11-16/h7-10,16H,4-6,11H2,1-3H3
InChIKeyLHWCTVBFTGHSHG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.05
Rot. Bonds5

About (4-tert-butylphenyl) 5-hydroxypentanoate

(4-tert-butylphenyl) 5-hydroxypentanoate (PubChem CID 585273) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4-tert-butylphenyl) 5-hydroxypentanoate.

Molecular Properties

Compound Name(4-tert-butylphenyl) 5-hydroxypentanoate
PubChem CID585273
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4-tert-butylphenyl) 5-hydroxypentanoate
SMILESCC(C)(C)c1ccc(OC(=O)CCCCO)cc1
InChIInChI=1S/C15H22O3/c1-15(2,3)12-7-9-13(10-8-12)18-14(17)6-4-5-11-16/h7-10,16H,4-6,11H2,1-3H3
InChIKeyLHWCTVBFTGHSHG-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-tert-butylphenyl) 5-hydroxypentanoate 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

(4-tert-butylphenyl) 4-chlorobutanoate
CID 54792710
bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] hexanedioate
CID 71386574
bis(4-tert-butylphenyl) propanedioate
CID 56991121
6-O-(4-tert-butylphenyl) 1-O-hexyl hexanedioate
CID 91715198
[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate
CID 139518674
bis(4-methylphenyl) hexanedioate
CID 521615
[4-(2-hydroperoxypropan-2-yl)phenyl] pentanoate
CID 154622048
(4-phenylmethoxyphenyl) 4-(4-tert-butylphenoxy)butanoate
CID 19184489
4-O-(4-tert-butylphenyl) 1-O-hexadecyl butanedioate
CID 91714991
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] tetradecanoate
CID 71326283
bis(4-methoxyphenyl) octanedioate
CID 89115465
bis(4-hydroxyphenyl) hexanedioate
CID 66769037

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) 5-hydroxypentanoate?
The IUPAC name of (4-tert-butylphenyl) 5-hydroxypentanoate (CID 585273) is (4-tert-butylphenyl) 5-hydroxypentanoate.
What is the SMILES notation for (4-tert-butylphenyl) 5-hydroxypentanoate?
The canonical SMILES for (4-tert-butylphenyl) 5-hydroxypentanoate is CC(C)(C)c1ccc(OC(=O)CCCCO)cc1.
What is the InChIKey of (4-tert-butylphenyl) 5-hydroxypentanoate?
The InChIKey is LHWCTVBFTGHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,3)12-7-9-13(10-8-12)18-14(17)6-4-5-11-16/h7-10,16H,4-6,11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl) 5-hydroxypentanoate?
(4-tert-butylphenyl) 5-hydroxypentanoate has a molecular weight of 250.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) 5-hydroxypentanoate is sourced from PubChem (CID 585273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).