[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium

C18H16CrO3 — CID 11038038

IUPAC[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O3.Cr/c1-2-20-14-13-17(15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16;/h3-13H,2H2,1H3;/b17-13-;
InChIKeyGFOXGZLSMMANBT-VSORCOHTSA-N
MW332.32 g/mol
LogP3.60
Rot. Bonds6

About [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium

[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium (PubChem CID 11038038) has the molecular formula C18H16CrO3 and a molecular weight of 332.32 g/mol. Its IUPAC name is [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium.

Molecular Properties

Compound Name[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium
PubChem CID11038038
Molecular FormulaC18H16CrO3
Molecular Weight332.32 g/mol
Exact Mass332.05
IUPAC Name[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O3.Cr/c1-2-20-14-13-17(15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16;/h3-13H,2H2,1H3;/b17-13-;
InChIKeyGFOXGZLSMMANBT-VSORCOHTSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
CID 158970570
CID 158970570
benzoyl benzoate;2-ethoxyprop-2-enoic acid
CID 175592406
tributyl-[(1Z,3E)-1,4-dibenzoyloxy-1,4-diphenylbuta-1,3-dien-2-yl]phosphanium chloride
CID 53349619
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
[(Z)-5-oxohept-3-en-3-yl] benzoate
CID 11850878
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate
CID 138972952
5-O-benzoyl 1-O-ethyl 2-methylidenepentanedioate
CID 118895947
ethyl benzoate;sulfuryl dichloride
CID 159512060

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium?
The IUPAC name of [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium (CID 11038038) is [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium.
What is the SMILES notation for [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium?
The canonical SMILES for [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium is CCOC(=[Cr])/C=C(\OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium?
The InChIKey is GFOXGZLSMMANBT-VSORCOHTSA-N. The full InChI is InChI=1S/C18H16O3.Cr/c1-2-20-14-13-17(15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16;/h3-13H,2H2,1H3;/b17-13-;.
What are the key properties of [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium?
[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium has a molecular weight of 332.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium is sourced from PubChem (CID 11038038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).