[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate

C13H16O4 — CID 90250863

IUPAC[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(O)cc1C(C)(C)O
InChIInChI=1S/C13H16O4/c1-8(2)12(15)17-11-6-5-9(14)7-10(11)13(3,4)16/h5-7,14,16H,1H2,2-4H3
InChIKeyABHLHBPPQUDELG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.10
Rot. Bonds3

About [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate

[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate (PubChem CID 90250863) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
PubChem CID90250863
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(O)cc1C(C)(C)O
InChIInChI=1S/C13H16O4/c1-8(2)12(15)17-11-6-5-9(14)7-10(11)13(3,4)16/h5-7,14,16H,1H2,2-4H3
InChIKeyABHLHBPPQUDELG-UHFFFAOYSA-N
XLogP2.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
CID 19934094
[3-hydroxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
CID 90250869
3-hydroxy-4-(2-methylprop-2-enoyloxy)benzoic acid
CID 139746465
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 139671519
[3-ethoxy-4-[2-[2-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 24821962
[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
[4-[1-[2,3-diethoxy-4-(2-methylprop-2-enoyloxy)phenyl]-1-phenylethyl]-2,3-diethoxyphenyl] 2-methylprop-2-enoate
CID 158869616
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[2-[[4-[[4-ethoxy-2-hydroxy-5-(2-methylprop-2-enoyloxy)phenyl]methoxy]-5-hydroxy-2-(2-methylprop-2-enoyloxy)phenyl]methoxy]-4-hydroxyphenyl] 2-methylprop-2-enoate
CID 135157813
2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123803428

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate (CID 90250863) is [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(O)cc1C(C)(C)O.
What is the InChIKey of [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate?
The InChIKey is ABHLHBPPQUDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8(2)12(15)17-11-6-5-9(14)7-10(11)13(3,4)16/h5-7,14,16H,1H2,2-4H3.
What are the key properties of [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate?
[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 90250863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).