2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene

C15H21BrO — CID 70347935

IUPAC2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
SMILESCc1cc(C)c2c(c1C)OC(C)(CCBr)CC2
InChIInChI=1S/C15H21BrO/c1-10-9-11(2)13-5-6-15(4,7-8-16)17-14(13)12(10)3/h9H,5-8H2,1-4H3
InChIKeyNLFHURGLSMGMOA-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.48
Rot. Bonds2

About 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene

2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene (PubChem CID 70347935) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
PubChem CID70347935
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
SMILESCc1cc(C)c2c(c1C)OC(C)(CCBr)CC2
InChIInChI=1S/C15H21BrO/c1-10-9-11(2)13-5-6-15(4,7-8-16)17-14(13)12(10)3/h9H,5-8H2,1-4H3
InChIKeyNLFHURGLSMGMOA-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The IUPAC name of 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene (CID 70347935) is 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene.
What is the SMILES notation for 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The canonical SMILES for 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene is Cc1cc(C)c2c(c1C)OC(C)(CCBr)CC2.
What is the InChIKey of 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The InChIKey is NLFHURGLSMGMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-10-9-11(2)13-5-6-15(4,7-8-16)17-14(13)12(10)3/h9H,5-8H2,1-4H3.
What are the key properties of 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene?
2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene has a molecular weight of 297.24 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene is sourced from PubChem (CID 70347935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).