9-(3-methylphenyl)-9H-fluorene

C20H16 — CID 28923

IUPAC9-(3-methylphenyl)-9H-fluorene
SMILESCc1cccc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C20H16/c1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13,20H,1H3
InChIKeyMKQRVAYQCMLNLI-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.16
Rot. Bonds1

About 9-(3-methylphenyl)-9H-fluorene

9-(3-methylphenyl)-9H-fluorene (PubChem CID 28923) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 9-(3-methylphenyl)-9H-fluorene.

Molecular Properties

Compound Name9-(3-methylphenyl)-9H-fluorene
PubChem CID28923
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name9-(3-methylphenyl)-9H-fluorene
SMILESCc1cccc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C20H16/c1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13,20H,1H3
InChIKeyMKQRVAYQCMLNLI-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-9H-fluorene?
The IUPAC name of 9-(3-methylphenyl)-9H-fluorene (CID 28923) is 9-(3-methylphenyl)-9H-fluorene.
What is the SMILES notation for 9-(3-methylphenyl)-9H-fluorene?
The canonical SMILES for 9-(3-methylphenyl)-9H-fluorene is Cc1cccc(C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-(3-methylphenyl)-9H-fluorene?
The InChIKey is MKQRVAYQCMLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13,20H,1H3.
What are the key properties of 9-(3-methylphenyl)-9H-fluorene?
9-(3-methylphenyl)-9H-fluorene has a molecular weight of 256.35 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-9H-fluorene is sourced from PubChem (CID 28923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).