methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate

C20H16O2 — CID 53483298

IUPACmethyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
SMILESCOC(=O)/C=C1\C2=C(CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H16O2/c1-22-19(21)12-18-16-9-5-4-8-15(16)17-11-10-13-6-2-3-7-14(13)20(17)18/h2-9,12H,10-11H2,1H3/b18-12-
InChIKeyGNPCEMNURXNEGR-PDGQHHTCSA-N
MW288.35 g/mol
LogP4.11
Rot. Bonds1

About methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate

methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate (PubChem CID 53483298) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
PubChem CID53483298
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Namemethyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
SMILESCOC(=O)/C=C1\C2=C(CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H16O2/c1-22-19(21)12-18-16-9-5-4-8-15(16)17-11-10-13-6-2-3-7-14(13)20(17)18/h2-9,12H,10-11H2,1H3/b18-12-
InChIKeyGNPCEMNURXNEGR-PDGQHHTCSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate (CID 53483298) is methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate is COC(=O)/C=C1\C2=C(CCc3ccccc32)c2ccccc21.
What is the InChIKey of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
The InChIKey is GNPCEMNURXNEGR-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-19(21)12-18-16-9-5-4-8-15(16)17-11-10-13-6-2-3-7-14(13)20(17)18/h2-9,12H,10-11H2,1H3/b18-12-.
What are the key properties of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate has a molecular weight of 288.35 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate is sourced from PubChem (CID 53483298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).