6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol

C15H21BrO2 — CID 112743534

IUPAC6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol
SMILESCC(C)C1(C(C)C)CC(O)c2cc(Br)ccc2O1
InChIInChI=1S/C15H21BrO2/c1-9(2)15(10(3)4)8-13(17)12-7-11(16)5-6-14(12)18-15/h5-7,9-10,13,17H,8H2,1-4H3
InChIKeyLUQLVVZRQBETOY-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.32
Rot. Bonds2

About 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol

6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol (PubChem CID 112743534) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol
PubChem CID112743534
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol
SMILESCC(C)C1(C(C)C)CC(O)c2cc(Br)ccc2O1
InChIInChI=1S/C15H21BrO2/c1-9(2)15(10(3)4)8-13(17)12-7-11(16)5-6-14(12)18-15/h5-7,9-10,13,17H,8H2,1-4H3
InChIKeyLUQLVVZRQBETOY-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol (CID 112743534) is 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol is CC(C)C1(C(C)C)CC(O)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol?
The InChIKey is LUQLVVZRQBETOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-9(2)15(10(3)4)8-13(17)12-7-11(16)5-6-14(12)18-15/h5-7,9-10,13,17H,8H2,1-4H3.
What are the key properties of 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol?
6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol has a molecular weight of 313.24 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 112743534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).