(2R)-2,4-diphenylbut-3-enoic acid

C16H14O2 — CID 3246496

IUPAC(2R)-2,4-diphenylbut-3-enoic acid
SMILESO=C(O)[C@H](C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2/c17-16(18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H,17,18)/t15-/m1/s1
InChIKeyXDCWKTVDGLXVME-OAHLLOKOSA-N
MW238.29 g/mol
LogP3.57
Rot. Bonds4

About (2R)-2,4-diphenylbut-3-enoic acid

(2R)-2,4-diphenylbut-3-enoic acid (PubChem CID 3246496) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R)-2,4-diphenylbut-3-enoic acid.

Molecular Properties

Compound Name(2R)-2,4-diphenylbut-3-enoic acid
PubChem CID3246496
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2R)-2,4-diphenylbut-3-enoic acid
SMILESO=C(O)[C@H](C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2/c17-16(18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H,17,18)/t15-/m1/s1
InChIKeyXDCWKTVDGLXVME-OAHLLOKOSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
2-hydroxy-3-(2-phenylethenyl)butanedioic acid
CID 67880957
4-methyl-2-phenylpent-3-enoic acid
CID 10559580
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
CID 91519477
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
CID 138982001
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
CID 18957413
chloroethene;2-ethenyl-4-phenylbut-3-enoic acid
CID 88778959
(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal
CID 175262474
(E)-4-phenyl-2-pyrrolidin-1-ylbut-3-enoic acid
CID 102378815

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diphenylbut-3-enoic acid?
The IUPAC name of (2R)-2,4-diphenylbut-3-enoic acid (CID 3246496) is (2R)-2,4-diphenylbut-3-enoic acid.
What is the SMILES notation for (2R)-2,4-diphenylbut-3-enoic acid?
The canonical SMILES for (2R)-2,4-diphenylbut-3-enoic acid is O=C(O)[C@H](C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2,4-diphenylbut-3-enoic acid?
The InChIKey is XDCWKTVDGLXVME-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14O2/c17-16(18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-2,4-diphenylbut-3-enoic acid?
(2R)-2,4-diphenylbut-3-enoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diphenylbut-3-enoic acid is sourced from PubChem (CID 3246496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).