2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol

C16H15Br2ClO2 — CID 82776853

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(C)(O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H15Br2ClO2/c1-16(20,13-5-3-11(17)8-15(13)19)9-10-7-12(21-2)4-6-14(10)18/h3-8,20H,9H2,1-2H3
InChIKeyXJDPDOTZSOIHJX-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol (PubChem CID 82776853) has the molecular formula C16H15Br2ClO2 and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
PubChem CID82776853
Molecular FormulaC16H15Br2ClO2
Molecular Weight434.56 g/mol
Exact Mass431.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(C)(O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H15Br2ClO2/c1-16(20,13-5-3-11(17)8-15(13)19)9-10-7-12(21-2)4-6-14(10)18/h3-8,20H,9H2,1-2H3
InChIKeyXJDPDOTZSOIHJX-UHFFFAOYSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
CID 65327501
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol (CID 82776853) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol is COc1ccc(Br)c(CC(C)(O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
The InChIKey is XJDPDOTZSOIHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClO2/c1-16(20,13-5-3-11(17)8-15(13)19)9-10-7-12(21-2)4-6-14(10)18/h3-8,20H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol has a molecular weight of 434.56 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 82776853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).