ethyl acetate;stilbene

C18H20O2 — CID 159556390

IUPACethyl acetate;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.CCOC(C)=O
InChIInChI=1S/C14H12.C4H8O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-6-4(2)5/h1-12H;3H2,1-2H3
InChIKeyMGASNHOIHZEZTP-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.43
Rot. Bonds3

About ethyl acetate;stilbene

ethyl acetate;stilbene (PubChem CID 159556390) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl acetate;stilbene.

Molecular Properties

Compound Nameethyl acetate;stilbene
PubChem CID159556390
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Nameethyl acetate;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.CCOC(C)=O
InChIInChI=1S/C14H12.C4H8O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-6-4(2)5/h1-12H;3H2,1-2H3
InChIKeyMGASNHOIHZEZTP-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl carbamate;stilbene
CID 175156091
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
acetic acid;stilbene
CID 172803728
acetic acid;ethyl acetate;methanol;toluene
CID 19857576
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;stilbene?
The IUPAC name of ethyl acetate;stilbene (CID 159556390) is ethyl acetate;stilbene.
What is the SMILES notation for ethyl acetate;stilbene?
The canonical SMILES for ethyl acetate;stilbene is C(=Cc1ccccc1)c1ccccc1.CCOC(C)=O.
What is the InChIKey of ethyl acetate;stilbene?
The InChIKey is MGASNHOIHZEZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C4H8O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-6-4(2)5/h1-12H;3H2,1-2H3.
What are the key properties of ethyl acetate;stilbene?
ethyl acetate;stilbene has a molecular weight of 268.36 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;stilbene is sourced from PubChem (CID 159556390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).