2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid

C18H18O3 — CID 174606516

IUPAC2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid
SMILESO=C(O)C(O)(C=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H18O3/c19-17(20)18(21,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13,21H,12,14H2,(H,19,20)
InChIKeyARWYSMAOPNGNIG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.15
Rot. Bonds6

About 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid

2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid (PubChem CID 174606516) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid.

Molecular Properties

Compound Name2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid
PubChem CID174606516
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid
SMILESO=C(O)C(O)(C=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H18O3/c19-17(20)18(21,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13,21H,12,14H2,(H,19,20)
InChIKeyARWYSMAOPNGNIG-UHFFFAOYSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
4-hydroxy-4-(2-phenylethyl)hex-5-en-3-one
CID 145233908
(1E)-4-methyl-1-phenyl-4-(2-phenylethyl)hexa-1,5-dien-3-one
CID 146161944
2-hydroxy-2-(3-phenylpropyl)propanedioic acid
CID 121011263
2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
3-phenylpropanoic acid;(E)-3-phenylprop-2-enoic acid
CID 175391892
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one
CID 101385570
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(4Z,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
CID 126592759
5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
CID 75115780

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid?
The IUPAC name of 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid (CID 174606516) is 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid.
What is the SMILES notation for 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid?
The canonical SMILES for 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid is O=C(O)C(O)(C=Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid?
The InChIKey is ARWYSMAOPNGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-17(20)18(21,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13,21H,12,14H2,(H,19,20).
What are the key properties of 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid?
2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid is sourced from PubChem (CID 174606516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).