[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate

C15H20O4 — CID 102584192

IUPAC[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OCC(C)(O)c1ccc(C)cc1O
InChIInChI=1S/C15H20O4/c1-5-11(3)14(17)19-9-15(4,18)12-7-6-10(2)8-13(12)16/h5-8,16,18H,9H2,1-4H3/b11-5-
InChIKeyAUCKIOFOCJENEP-WZUFQYTHSA-N
MW264.32 g/mol
LogP2.42
Rot. Bonds4

About [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate

[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate (PubChem CID 102584192) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate
PubChem CID102584192
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OCC(C)(O)c1ccc(C)cc1O
InChIInChI=1S/C15H20O4/c1-5-11(3)14(17)19-9-15(4,18)12-7-6-10(2)8-13(12)16/h5-8,16,18H,9H2,1-4H3/b11-5-
InChIKeyAUCKIOFOCJENEP-WZUFQYTHSA-N
XLogP2.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate 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

[2-[(2R)-1-hydroxy-2-methoxypropan-2-yl]-5-methylphenyl] (Z)-2-methylbut-2-enoate
CID 163013091
[(2S)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] 2-methylpropanoate
CID 162879013
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
(E,2R)-2,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-7-methyloct-5-en-3-one
CID 10221283
2,6-dihydroxy-2-(2-hydroxy-4-methylphenyl)-6-methylhept-4-en-3-one
CID 74493494
[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate
CID 163086397
ethyl (E)-3-[3-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]prop-2-enoate
CID 86725225
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
[(2S)-2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-phenylprop-2-enoyloxy)propyl] 2-methylpropanoate
CID 162866444
[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate
CID 162992878
2,2,4-trimethylpent-4-enyl (E)-2-methylbut-2-enoate
CID 15800965
5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate?
The IUPAC name of [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate (CID 102584192) is [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate.
What is the SMILES notation for [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate?
The canonical SMILES for [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)OCC(C)(O)c1ccc(C)cc1O.
What is the InChIKey of [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate?
The InChIKey is AUCKIOFOCJENEP-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-11(3)14(17)19-9-15(4,18)12-7-6-10(2)8-13(12)16/h5-8,16,18H,9H2,1-4H3/b11-5-.
What are the key properties of [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate?
[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 102584192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).