9H-fluoren-9-ylmethyl but-2-ynoate

C18H14O2 — CID 22272244

IUPAC9H-fluoren-9-ylmethyl but-2-ynoate
SMILESCC#CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H14O2/c1-2-7-18(19)20-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h3-6,8-11,17H,12H2,1H3
InChIKeyUUTBYLPYGRFGRD-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.37
Rot. Bonds2

About 9H-fluoren-9-ylmethyl but-2-ynoate

9H-fluoren-9-ylmethyl but-2-ynoate (PubChem CID 22272244) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl but-2-ynoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl but-2-ynoate
PubChem CID22272244
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name9H-fluoren-9-ylmethyl but-2-ynoate
SMILESCC#CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H14O2/c1-2-7-18(19)20-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h3-6,8-11,17H,12H2,1H3
InChIKeyUUTBYLPYGRFGRD-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl but-2-ynoate?
The IUPAC name of 9H-fluoren-9-ylmethyl but-2-ynoate (CID 22272244) is 9H-fluoren-9-ylmethyl but-2-ynoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl but-2-ynoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl but-2-ynoate is CC#CC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl but-2-ynoate?
The InChIKey is UUTBYLPYGRFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-2-7-18(19)20-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h3-6,8-11,17H,12H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl but-2-ynoate?
9H-fluoren-9-ylmethyl but-2-ynoate has a molecular weight of 262.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl but-2-ynoate is sourced from PubChem (CID 22272244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).