methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate

C15H20O4 — CID 82347062

IUPACmethyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate
SMILESC=C(C)COc1ccc(C(O)CCC(=O)OC)cc1
InChIInChI=1S/C15H20O4/c1-11(2)10-19-13-6-4-12(5-7-13)14(16)8-9-15(17)18-3/h4-7,14,16H,1,8-10H2,2-3H3
InChIKeyPQUXJILFMSJYPM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.63
Rot. Bonds7

About methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate

methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate (PubChem CID 82347062) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate
PubChem CID82347062
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate
SMILESC=C(C)COc1ccc(C(O)CCC(=O)OC)cc1
InChIInChI=1S/C15H20O4/c1-11(2)10-19-13-6-4-12(5-7-13)14(16)8-9-15(17)18-3/h4-7,14,16H,1,8-10H2,2-3H3
InChIKeyPQUXJILFMSJYPM-UHFFFAOYSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 3-[4-[3-[4-(1-hydroxy-4-phenylbutyl)phenoxy]propoxy]phenyl]propanoate
CID 54295592
3-[4-(2-methylprop-2-enoxy)phenyl]butanoic acid
CID 83970856
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
methyl 4-hydroxy-4-(4-methyl-3-nitrophenyl)butanoate
CID 82347174

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate?
The IUPAC name of methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate (CID 82347062) is methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate.
What is the SMILES notation for methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate?
The canonical SMILES for methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate is C=C(C)COc1ccc(C(O)CCC(=O)OC)cc1.
What is the InChIKey of methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate?
The InChIKey is PQUXJILFMSJYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)10-19-13-6-4-12(5-7-13)14(16)8-9-15(17)18-3/h4-7,14,16H,1,8-10H2,2-3H3.
What are the key properties of methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate?
methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate has a molecular weight of 264.32 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate is sourced from PubChem (CID 82347062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).