9H-fluorene;propane-1,2-diol

C16H18O2 — CID 158061143

IUPAC9H-fluorene;propane-1,2-diol
SMILESCC(O)CO.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C3H8O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3(5)2-4/h1-8H,9H2;3-5H,2H2,1H3
InChIKeyFKQSHOPJLLGPCL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.62
Rot. Bonds1

About 9H-fluorene;propane-1,2-diol

9H-fluorene;propane-1,2-diol (PubChem CID 158061143) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 9H-fluorene;propane-1,2-diol.

Molecular Properties

Compound Name9H-fluorene;propane-1,2-diol
PubChem CID158061143
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name9H-fluorene;propane-1,2-diol
SMILESCC(O)CO.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C3H8O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3(5)2-4/h1-8H,9H2;3-5H,2H2,1H3
InChIKeyFKQSHOPJLLGPCL-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 161167703
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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;propane-1,2-diol?
The IUPAC name of 9H-fluorene;propane-1,2-diol (CID 158061143) is 9H-fluorene;propane-1,2-diol.
What is the SMILES notation for 9H-fluorene;propane-1,2-diol?
The canonical SMILES for 9H-fluorene;propane-1,2-diol is CC(O)CO.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;propane-1,2-diol?
The InChIKey is FKQSHOPJLLGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C3H8O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3(5)2-4/h1-8H,9H2;3-5H,2H2,1H3.
What are the key properties of 9H-fluorene;propane-1,2-diol?
9H-fluorene;propane-1,2-diol has a molecular weight of 242.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;propane-1,2-diol is sourced from PubChem (CID 158061143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).