acetic acid;stilbene

C18H20O4 — CID 172803728

IUPACacetic acid;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.CC(=O)O.CC(=O)O
InChIInChI=1S/C14H12.2C2H4O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2(3)4/h1-12H;2*1H3,(H,3,4)
InChIKeyRFHSXFKQYFHGGI-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.04
Rot. Bonds2

About acetic acid;stilbene

acetic acid;stilbene (PubChem CID 172803728) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is acetic acid;stilbene.

Molecular Properties

Compound Nameacetic acid;stilbene
PubChem CID172803728
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Nameacetic acid;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.CC(=O)O.CC(=O)O
InChIInChI=1S/C14H12.2C2H4O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2(3)4/h1-12H;2*1H3,(H,3,4)
InChIKeyRFHSXFKQYFHGGI-UHFFFAOYSA-N
XLogP4.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenylprop-2-enoic acid
CID 5372954
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
ethyl acetate;stilbene
CID 159556390
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853

Frequently Asked Questions

What is the IUPAC name of acetic acid;stilbene?
The IUPAC name of acetic acid;stilbene (CID 172803728) is acetic acid;stilbene.
What is the SMILES notation for acetic acid;stilbene?
The canonical SMILES for acetic acid;stilbene is C(=Cc1ccccc1)c1ccccc1.CC(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;stilbene?
The InChIKey is RFHSXFKQYFHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2C2H4O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2(3)4/h1-12H;2*1H3,(H,3,4).
What are the key properties of acetic acid;stilbene?
acetic acid;stilbene has a molecular weight of 300.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;stilbene is sourced from PubChem (CID 172803728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).