2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene

C18H20O — CID 163760487

IUPAC2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene
SMILESCC[C@@H](C)OCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H20O/c1-3-13(2)19-12-14-8-9-18-16(10-14)11-15-6-4-5-7-17(15)18/h4-10,13H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyLXTMJRKKSKFGRI-CYBMUJFWSA-N
MW252.36 g/mol
LogP4.57
Rot. Bonds4

About 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene

2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene (PubChem CID 163760487) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene
PubChem CID163760487
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene
SMILESCC[C@@H](C)OCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H20O/c1-3-13(2)19-12-14-8-9-18-16(10-14)11-15-6-4-5-7-17(15)18/h4-10,13H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyLXTMJRKKSKFGRI-CYBMUJFWSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene?
The IUPAC name of 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene (CID 163760487) is 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene?
The canonical SMILES for 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene is CC[C@@H](C)OCc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene?
The InChIKey is LXTMJRKKSKFGRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20O/c1-3-13(2)19-12-14-8-9-18-16(10-14)11-15-6-4-5-7-17(15)18/h4-10,13H,3,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene?
2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene has a molecular weight of 252.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene is sourced from PubChem (CID 163760487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).