4-[(2S)-butan-2-yl]dibenzofuran

C16H16O — CID 142504734

IUPAC4-[(2S)-butan-2-yl]dibenzofuran
SMILESCC[C@H](C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C16H16O/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyXITLUUSHPCGWIS-NSHDSACASA-N
MW224.30 g/mol
LogP5.10
Rot. Bonds2

About 4-[(2S)-butan-2-yl]dibenzofuran

4-[(2S)-butan-2-yl]dibenzofuran (PubChem CID 142504734) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]dibenzofuran.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]dibenzofuran
PubChem CID142504734
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-[(2S)-butan-2-yl]dibenzofuran
SMILESCC[C@H](C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C16H16O/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyXITLUUSHPCGWIS-NSHDSACASA-N
XLogP5.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.30
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]dibenzofuran?
The IUPAC name of 4-[(2S)-butan-2-yl]dibenzofuran (CID 142504734) is 4-[(2S)-butan-2-yl]dibenzofuran.
What is the SMILES notation for 4-[(2S)-butan-2-yl]dibenzofuran?
The canonical SMILES for 4-[(2S)-butan-2-yl]dibenzofuran is CC[C@H](C)c1cccc2c1oc1ccccc12.
What is the InChIKey of 4-[(2S)-butan-2-yl]dibenzofuran?
The InChIKey is XITLUUSHPCGWIS-NSHDSACASA-N. The full InChI is InChI=1S/C16H16O/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]dibenzofuran?
4-[(2S)-butan-2-yl]dibenzofuran has a molecular weight of 224.30 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-butan-2-yl]dibenzofuran is sourced from PubChem (CID 142504734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).