5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene

C14H19BrO2 — CID 135018548

IUPAC5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1Br)CCC(C)(C)O2
InChIInChI=1S/C14H19BrO2/c1-8-9(2)13(16-5)11(15)10-6-7-14(3,4)17-12(8)10/h6-7H2,1-5H3
InChIKeyFSAPKUHQUKDDAX-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.18
Rot. Bonds1

About 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene

5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene (PubChem CID 135018548) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
PubChem CID135018548
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1Br)CCC(C)(C)O2
InChIInChI=1S/C14H19BrO2/c1-8-9(2)13(16-5)11(15)10-6-7-14(3,4)17-12(8)10/h6-7H2,1-5H3
InChIKeyFSAPKUHQUKDDAX-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
The IUPAC name of 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene (CID 135018548) is 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene.
What is the SMILES notation for 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
The canonical SMILES for 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene is COc1c(C)c(C)c2c(c1Br)CCC(C)(C)O2.
What is the InChIKey of 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
The InChIKey is FSAPKUHQUKDDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-8-9(2)13(16-5)11(15)10-6-7-14(3,4)17-12(8)10/h6-7H2,1-5H3.
What are the key properties of 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene has a molecular weight of 299.21 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene is sourced from PubChem (CID 135018548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).