propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate

C19H22O4 — CID 53383610

IUPACpropan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate
SMILESCc1ccc(C(O)(C(=O)OC(C)C)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H22O4/c1-13(2)23-18(21)19(22,16-11-9-14(3)10-12-16)17(20)15-7-5-4-6-8-15/h4-13,17,20,22H,1-3H3
InChIKeyYSWLRUMROQBDEN-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.87
Rot. Bonds5

About propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate

propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate (PubChem CID 53383610) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate
PubChem CID53383610
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namepropan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate
SMILESCc1ccc(C(O)(C(=O)OC(C)C)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H22O4/c1-13(2)23-18(21)19(22,16-11-9-14(3)10-12-16)17(20)15-7-5-4-6-8-15/h4-13,17,20,22H,1-3H3
InChIKeyYSWLRUMROQBDEN-UHFFFAOYSA-N
XLogP2.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate?
The IUPAC name of propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate (CID 53383610) is propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate is Cc1ccc(C(O)(C(=O)OC(C)C)C(O)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate?
The InChIKey is YSWLRUMROQBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-13(2)23-18(21)19(22,16-11-9-14(3)10-12-16)17(20)15-7-5-4-6-8-15/h4-13,17,20,22H,1-3H3.
What are the key properties of propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate?
propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate has a molecular weight of 314.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-dihydroxy-2-(4-methylphenyl)-3-phenylpropanoate is sourced from PubChem (CID 53383610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).