2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol

C19H22Br2O2 — CID 84820615

IUPAC2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol
SMILESCOC(C)(C)c1cccc(Br)c1-c1c(Br)cccc1C(C)(C)O
InChIInChI=1S/C19H22Br2O2/c1-18(2,22)12-8-6-10-14(20)16(12)17-13(19(3,4)23-5)9-7-11-15(17)21/h6-11,22H,1-5H3
InChIKeySTQXVIBLYBVMDI-UHFFFAOYSA-N
MW442.19 g/mol
LogP5.99
Rot. Bonds4

About 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol

2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol (PubChem CID 84820615) has the molecular formula C19H22Br2O2 and a molecular weight of 442.19 g/mol. Its IUPAC name is 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol
PubChem CID84820615
Molecular FormulaC19H22Br2O2
Molecular Weight442.19 g/mol
Exact Mass440.00
IUPAC Name2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol
SMILESCOC(C)(C)c1cccc(Br)c1-c1c(Br)cccc1C(C)(C)O
InChIInChI=1S/C19H22Br2O2/c1-18(2,22)12-8-6-10-14(20)16(12)17-13(19(3,4)23-5)9-7-11-15(17)21/h6-11,22H,1-5H3
InChIKeySTQXVIBLYBVMDI-UHFFFAOYSA-N
XLogP5.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.19
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol with MolForge

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Related Compounds

methyl 3-(2-bromophenyl)-3-hydroxybutanoate
CID 171366058
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
1-bromo-2-(2-bromophenyl)-3-tert-butylbenzene
CID 19867481
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
3-bromo-2-(2-methoxypropan-2-yl)pyridine
CID 151692049
2-(2-methoxypropan-2-yl)benzoic acid
CID 117111487
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467
8-bromo-2-(2-methoxypropan-2-yl)quinolin-3-ol
CID 165487257
methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
CID 171477875

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol (CID 84820615) is 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol is COC(C)(C)c1cccc(Br)c1-c1c(Br)cccc1C(C)(C)O.
What is the InChIKey of 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol?
The InChIKey is STQXVIBLYBVMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2O2/c1-18(2,22)12-8-6-10-14(20)16(12)17-13(19(3,4)23-5)9-7-11-15(17)21/h6-11,22H,1-5H3.
What are the key properties of 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol?
2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol has a molecular weight of 442.19 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 84820615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).