9-(3-methoxyprop-1-ynyl)-9-phenylfluorene

C23H18O — CID 153435964

IUPAC9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
SMILESCOCC#CC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18O/c1-24-17-9-16-23(18-10-3-2-4-11-18)21-14-7-5-12-19(21)20-13-6-8-15-22(20)23/h2-8,10-15H,17H2,1H3
InChIKeyIZIBJWUCVSJNMI-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.65
Rot. Bonds2

About 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene

9-(3-methoxyprop-1-ynyl)-9-phenylfluorene (PubChem CID 153435964) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene.

Molecular Properties

Compound Name9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
PubChem CID153435964
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
SMILESCOCC#CC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18O/c1-24-17-9-16-23(18-10-3-2-4-11-18)21-14-7-5-12-19(21)20-13-6-8-15-22(20)23/h2-8,10-15H,17H2,1H3
InChIKeyIZIBJWUCVSJNMI-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene?
The IUPAC name of 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene (CID 153435964) is 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene.
What is the SMILES notation for 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene?
The canonical SMILES for 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene is COCC#CC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene?
The InChIKey is IZIBJWUCVSJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-24-17-9-16-23(18-10-3-2-4-11-18)21-14-7-5-12-19(21)20-13-6-8-15-22(20)23/h2-8,10-15H,17H2,1H3.
What are the key properties of 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene?
9-(3-methoxyprop-1-ynyl)-9-phenylfluorene has a molecular weight of 310.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxyprop-1-ynyl)-9-phenylfluorene is sourced from PubChem (CID 153435964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).