2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol

C18H16Br4O2 — CID 21253665

IUPAC2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol
SMILESCC1(C)CC(C)(c2cc(Br)cc(Br)c2O)Oc2c(Br)cc(Br)cc21
InChIInChI=1S/C18H16Br4O2/c1-17(2)8-18(3,11-4-9(19)6-13(21)15(11)23)24-16-12(17)5-10(20)7-14(16)22/h4-7,23H,8H2,1-3H3
InChIKeyVQHAJRJTVJYXLZ-UHFFFAOYSA-N
MW583.94 g/mol
LogP7.42
Rot. Bonds1

About 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol

2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol (PubChem CID 21253665) has the molecular formula C18H16Br4O2 and a molecular weight of 583.94 g/mol. Its IUPAC name is 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol
PubChem CID21253665
Molecular FormulaC18H16Br4O2
Molecular Weight583.94 g/mol
Exact Mass579.79
IUPAC Name2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol
SMILESCC1(C)CC(C)(c2cc(Br)cc(Br)c2O)Oc2c(Br)cc(Br)cc21
InChIInChI=1S/C18H16Br4O2/c1-17(2)8-18(3,11-4-9(19)6-13(21)15(11)23)24-16-12(17)5-10(20)7-14(16)22/h4-7,23H,8H2,1-3H3
InChIKeyVQHAJRJTVJYXLZ-UHFFFAOYSA-N
XLogP7.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.94
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol?
The IUPAC name of 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol (CID 21253665) is 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol?
The canonical SMILES for 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol is CC1(C)CC(C)(c2cc(Br)cc(Br)c2O)Oc2c(Br)cc(Br)cc21.
What is the InChIKey of 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol?
The InChIKey is VQHAJRJTVJYXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br4O2/c1-17(2)8-18(3,11-4-9(19)6-13(21)15(11)23)24-16-12(17)5-10(20)7-14(16)22/h4-7,23H,8H2,1-3H3.
What are the key properties of 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol?
2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol has a molecular weight of 583.94 g/mol, XLogP of 7.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(6,8-dibromo-2,4,4-trimethyl-3H-chromen-2-yl)phenol is sourced from PubChem (CID 21253665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).