propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate

C19H21FO4 — CID 53383611

IUPACpropan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate
SMILESCc1ccc(C(O)(C(=O)OC(C)C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FO4/c1-12(2)24-18(22)19(23,15-8-4-13(3)5-9-15)17(21)14-6-10-16(20)11-7-14/h4-12,17,21,23H,1-3H3
InChIKeyYFLBGSCGWHMISJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.01
Rot. Bonds5

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

propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate (PubChem CID 53383611) has the molecular formula C19H21FO4 and a molecular weight of 332.37 g/mol. Its IUPAC name is propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate
PubChem CID53383611
Molecular FormulaC19H21FO4
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Namepropan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate
SMILESCc1ccc(C(O)(C(=O)OC(C)C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FO4/c1-12(2)24-18(22)19(23,15-8-4-13(3)5-9-15)17(21)14-6-10-16(20)11-7-14/h4-12,17,21,23H,1-3H3
InChIKeyYFLBGSCGWHMISJ-UHFFFAOYSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2893
Methyl benzilate
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Ethoxydiphenylacetic acid
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(2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)phenyl)propanoic acid
CID 25107241
Methyl alpha-cyclohexyl-alpha-hydroxybenzeneacetate
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(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 23644579
[2-Oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate
CID 4883701
ethyl (2R,3S)-3-[3-[(1S,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]phenyl]-2,3-dihydroxypropanoate
CID 24762028
1,3-Dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate
CID 56950597
2,3-Dihydroxy-2,3-diphenylpropanoic acid
CID 296661

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate?
The IUPAC name of propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate (CID 53383611) is propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate is Cc1ccc(C(O)(C(=O)OC(C)C)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate?
The InChIKey is YFLBGSCGWHMISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO4/c1-12(2)24-18(22)19(23,15-8-4-13(3)5-9-15)17(21)14-6-10-16(20)11-7-14/h4-12,17,21,23H,1-3H3.
What are the key properties of propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate?
propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate has a molecular weight of 332.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate is sourced from PubChem (CID 53383611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).