tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate

C14H18O3 — CID 169454130

IUPACtert-butyl 4-(3-hydroxyprop-1-enyl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C14H18O3/c1-14(2,3)17-13(16)12-8-6-11(7-9-12)5-4-10-15/h4-9,15H,10H2,1-3H3
InChIKeyWHRSZKOEFVEBTQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate

tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate (PubChem CID 169454130) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxyprop-1-enyl)benzoate
PubChem CID169454130
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Nametert-butyl 4-(3-hydroxyprop-1-enyl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C14H18O3/c1-14(2,3)17-13(16)12-8-6-11(7-9-12)5-4-10-15/h4-9,15H,10H2,1-3H3
InChIKeyWHRSZKOEFVEBTQ-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate 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

tert-butyl 4-(3-bromoprop-1-enyl)benzoate
CID 169476341
tert-butyl 4-(4-acetylsulfanylbut-1-enyl)benzoate
CID 170481035
tert-butyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496655
tert-butyl 4-(4-ethoxy-4-oxobut-1-enyl)benzoate
CID 170797047
tert-butyl 4-[(Z)-2-(4-bromophenyl)ethenyl]benzoate
CID 18647963
tert-butyl 4-(4-azidobut-1-enyl)benzoate
CID 170486181
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-(2-cyanoethenyl)benzoate
CID 169484255
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
(E)-2,3-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
CID 135071061

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate?
The IUPAC name of tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate (CID 169454130) is tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate.
What is the SMILES notation for tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate?
The canonical SMILES for tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate is CC(C)(C)OC(=O)c1ccc(C=CCO)cc1.
What is the InChIKey of tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate?
The InChIKey is WHRSZKOEFVEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,3)17-13(16)12-8-6-11(7-9-12)5-4-10-15/h4-9,15H,10H2,1-3H3.
What are the key properties of tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate?
tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate has a molecular weight of 234.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxyprop-1-enyl)benzoate is sourced from PubChem (CID 169454130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).