1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol

C16H16Br2O2 — CID 65327501

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(C)(O)c2cccc(Br)c2)c1
InChIInChI=1S/C16H16Br2O2/c1-16(19,12-4-3-5-13(17)9-12)10-11-8-14(20-2)6-7-15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyVOMVQRYRSKKVLK-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.67
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol

1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol (PubChem CID 65327501) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
PubChem CID65327501
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(C)(O)c2cccc(Br)c2)c1
InChIInChI=1S/C16H16Br2O2/c1-16(19,12-4-3-5-13(17)9-12)10-11-8-14(20-2)6-7-15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyVOMVQRYRSKKVLK-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 65144721
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 82776853
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103047480
1-(2-chlorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 54919291
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol (CID 65327501) is 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol is COc1ccc(Br)c(CC(C)(O)c2cccc(Br)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol?
The InChIKey is VOMVQRYRSKKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-16(19,12-4-3-5-13(17)9-12)10-11-8-14(20-2)6-7-15(11)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol?
1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol has a molecular weight of 400.11 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol is sourced from PubChem (CID 65327501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).