ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate

C20H24O4 — CID 73387579

IUPACethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1
InChIInChI=1S/C20H24O4/c1-6-24-19(23)20(4,5)15-10-16(21)18(17(22)11-15)14-8-12(2)7-13(3)9-14/h7-11,21-22H,6H2,1-5H3
InChIKeyKSDCBGHPMBOSMJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.22
Rot. Bonds4

About ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate

ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate (PubChem CID 73387579) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate
PubChem CID73387579
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Nameethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1
InChIInChI=1S/C20H24O4/c1-6-24-19(23)20(4,5)15-10-16(21)18(17(22)11-15)14-8-12(2)7-13(3)9-14/h7-11,21-22H,6H2,1-5H3
InChIKeyKSDCBGHPMBOSMJ-UHFFFAOYSA-N
XLogP4.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate (CID 73387579) is ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1cc(O)c(-c2cc(C)cc(C)c2)c(O)c1.
What is the InChIKey of ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate?
The InChIKey is KSDCBGHPMBOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-6-24-19(23)20(4,5)15-10-16(21)18(17(22)11-15)14-8-12(2)7-13(3)9-14/h7-11,21-22H,6H2,1-5H3.
What are the key properties of ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate?
ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate has a molecular weight of 328.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3,5-dimethylphenyl)-3,5-dihydroxyphenyl]-2-methylpropanoate is sourced from PubChem (CID 73387579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).