1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol

C18H21BrO2 — CID 65325300

IUPAC1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C18H21BrO2/c1-18(2,14-7-5-4-6-8-14)17(20)12-13-11-15(21-3)9-10-16(13)19/h4-11,17,20H,12H2,1-3H3
InChIKeyOBNQBKFWBJAOIK-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.34
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol (PubChem CID 65325300) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
PubChem CID65325300
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C18H21BrO2/c1-18(2,14-7-5-4-6-8-14)17(20)12-13-11-15(21-3)9-10-16(13)19/h4-11,17,20H,12H2,1-3H3
InChIKeyOBNQBKFWBJAOIK-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
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1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
1-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]-4-methoxybenzene
CID 83139272
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol (CID 65325300) is 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol is COc1ccc(Br)c(CC(O)C(C)(C)c2ccccc2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol?
The InChIKey is OBNQBKFWBJAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-18(2,14-7-5-4-6-8-14)17(20)12-13-11-15(21-3)9-10-16(13)19/h4-11,17,20H,12H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol has a molecular weight of 349.27 g/mol, XLogP of 4.34, 5 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)-3-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 65325300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).