(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran

C12H15BrO — CID 66759727

IUPAC(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran
SMILESCc1c(C)c2c(c(C)c1Br)C[C@@H](C)O2
InChIInChI=1S/C12H15BrO/c1-6-5-10-9(4)11(13)7(2)8(3)12(10)14-6/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyLSLBEMMDOKUCSP-ZCFIWIBFSA-N
MW255.15 g/mol
LogP3.70
Rot. Bonds

About (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran

(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran (PubChem CID 66759727) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran
PubChem CID66759727
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran
SMILESCc1c(C)c2c(c(C)c1Br)C[C@@H](C)O2
InChIInChI=1S/C12H15BrO/c1-6-5-10-9(4)11(13)7(2)8(3)12(10)14-6/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyLSLBEMMDOKUCSP-ZCFIWIBFSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran (CID 66759727) is (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran is Cc1c(C)c2c(c(C)c1Br)C[C@@H](C)O2.
What is the InChIKey of (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran?
The InChIKey is LSLBEMMDOKUCSP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H15BrO/c1-6-5-10-9(4)11(13)7(2)8(3)12(10)14-6/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran?
(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran has a molecular weight of 255.15 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66759727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).