methyl 2-fluoren-9-ylideneacetate

C16H12O2 — CID 735976

IUPACmethyl 2-fluoren-9-ylideneacetate
SMILESCOC(=O)C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O2/c1-18-16(17)10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyJKKWDADOWDCWKC-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.27
Rot. Bonds1

About methyl 2-fluoren-9-ylideneacetate

methyl 2-fluoren-9-ylideneacetate (PubChem CID 735976) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-fluoren-9-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-fluoren-9-ylideneacetate
PubChem CID735976
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-fluoren-9-ylideneacetate
SMILESCOC(=O)C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O2/c1-18-16(17)10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyJKKWDADOWDCWKC-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoren-9-ylideneacetate?
The IUPAC name of methyl 2-fluoren-9-ylideneacetate (CID 735976) is methyl 2-fluoren-9-ylideneacetate.
What is the SMILES notation for methyl 2-fluoren-9-ylideneacetate?
The canonical SMILES for methyl 2-fluoren-9-ylideneacetate is COC(=O)C=C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 2-fluoren-9-ylideneacetate?
The InChIKey is JKKWDADOWDCWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-18-16(17)10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10H,1H3.
What are the key properties of methyl 2-fluoren-9-ylideneacetate?
methyl 2-fluoren-9-ylideneacetate has a molecular weight of 236.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoren-9-ylideneacetate is sourced from PubChem (CID 735976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).