4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid

C19H18O3 — CID 174386982

IUPAC4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid
SMILESO=C(Cc1ccccc1)CC(C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H18O3/c20-18(13-16-9-5-2-6-10-16)14-17(19(21)22)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,22)
InChIKeyTXNODZLNTAPOQD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.60
Rot. Bonds7

About 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid

4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid (PubChem CID 174386982) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid.

Molecular Properties

Compound Name4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid
PubChem CID174386982
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid
SMILESO=C(Cc1ccccc1)CC(C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H18O3/c20-18(13-16-9-5-2-6-10-16)14-17(19(21)22)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,22)
InChIKeyTXNODZLNTAPOQD-UHFFFAOYSA-N
XLogP3.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
1,3-diphenyl(213C)propan-2-one
CID 100945080
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
(E)-2-(benzylamino)-4-phenylbut-3-enoic acid
CID 20656167
4,4-dimethoxy-1-phenylbutan-2-one
CID 154136374
1,5-diphenyl-4-sulfanylpentan-2-one
CID 87477477
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
ethyl (2S)-2-methyl-4-oxo-5-phenylpentanoate
CID 146342597
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid?
The IUPAC name of 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid (CID 174386982) is 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid.
What is the SMILES notation for 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid?
The canonical SMILES for 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid is O=C(Cc1ccccc1)CC(C=Cc1ccccc1)C(=O)O.
What is the InChIKey of 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid?
The InChIKey is TXNODZLNTAPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-18(13-16-9-5-2-6-10-16)14-17(19(21)22)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,22).
What are the key properties of 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid?
4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid is sourced from PubChem (CID 174386982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).