phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate

C17H18O4 — CID 91467152

IUPACphenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate
SMILESCOc1ccc(O)cc1C(C)(C)C(=O)Oc1ccccc1
InChIInChI=1S/C17H18O4/c1-17(2,14-11-12(18)9-10-15(14)20-3)16(19)21-13-7-5-4-6-8-13/h4-11,18H,1-3H3
InChIKeyJZDBAVSLGAXEKD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.28
Rot. Bonds4

About phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate

phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate (PubChem CID 91467152) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namephenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate
PubChem CID91467152
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namephenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate
SMILESCOc1ccc(O)cc1C(C)(C)C(=O)Oc1ccccc1
InChIInChI=1S/C17H18O4/c1-17(2,14-11-12(18)9-10-15(14)20-3)16(19)21-13-7-5-4-6-8-13/h4-11,18H,1-3H3
InChIKeyJZDBAVSLGAXEKD-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-[4-methoxy-3-(trifluoromethyl)phenyl]acetate
CID 157319709
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
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2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
phenyl 2-amino-2-methylpropanoate
CID 22002021
diphenyl 2-methyl-2-methylsulfonylpropanedioate
CID 44634248
phenyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 67067577
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
methyl 4-hydroxy-2-(1-hydroxy-1-phenoxyethyl)benzoate
CID 141200863
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
4-O-(3-hydroxy-5-methoxyphenyl) 1-O-phenyl (E)-but-2-enedioate
CID 130411741
phenyl 2,2-difluoro-2-methylsulfanylacetate
CID 101183893
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate?
The IUPAC name of phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate (CID 91467152) is phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate.
What is the SMILES notation for phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate?
The canonical SMILES for phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate is COc1ccc(O)cc1C(C)(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate?
The InChIKey is JZDBAVSLGAXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(2,14-11-12(18)9-10-15(14)20-3)16(19)21-13-7-5-4-6-8-13/h4-11,18H,1-3H3.
What are the key properties of phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate?
phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate has a molecular weight of 286.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 91467152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).