1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol

C17H19BrO2 — CID 65327369

IUPAC1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CCc2ccccc2)c1
InChIInChI=1S/C17H19BrO2/c1-20-16-9-10-17(18)14(12-16)11-15(19)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15,19H,7-8,11H2,1H3
InChIKeyHAUAIOBTTZMGSN-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.99
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol

1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol (PubChem CID 65327369) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
PubChem CID65327369
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CCc2ccccc2)c1
InChIInChI=1S/C17H19BrO2/c1-20-16-9-10-17(18)14(12-16)11-15(19)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15,19H,7-8,11H2,1H3
InChIKeyHAUAIOBTTZMGSN-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
4-(2-bromo-5-methoxyphenyl)-1-methoxybutan-2-ol
CID 65326801
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol (CID 65327369) is 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol is COc1ccc(Br)c(CC(O)CCc2ccccc2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol?
The InChIKey is HAUAIOBTTZMGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-20-16-9-10-17(18)14(12-16)11-15(19)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,15,19H,7-8,11H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol?
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol has a molecular weight of 335.24 g/mol, XLogP of 3.99, 6 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)-4-phenylbutan-2-ol is sourced from PubChem (CID 65327369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).