9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene

C23H18O — CID 170050137

IUPAC9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
SMILESC#CCOc1ccccc1C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18O/c1-3-16-24-22-15-9-8-14-21(22)23(2)19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1,4-15H,16H2,2H3
InChIKeyMLRLQKVBMSZMOU-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.03
Rot. Bonds3

About 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene

9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene (PubChem CID 170050137) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene.

Molecular Properties

Compound Name9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
PubChem CID170050137
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
SMILESC#CCOc1ccccc1C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18O/c1-3-16-24-22-15-9-8-14-21(22)23(2)19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1,4-15H,16H2,2H3
InChIKeyMLRLQKVBMSZMOU-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.03
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-methyl-9-(2-prop-2-ynoxyphenyl)fluorene?
The IUPAC name of 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene (CID 170050137) is 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene.
What is the SMILES notation for 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene?
The canonical SMILES for 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene is C#CCOc1ccccc1C1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene?
The InChIKey is MLRLQKVBMSZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-3-16-24-22-15-9-8-14-21(22)23(2)19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1,4-15H,16H2,2H3.
What are the key properties of 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene?
9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene has a molecular weight of 310.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene is sourced from PubChem (CID 170050137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).