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

C17H19BrO2 — CID 65325394

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(O)Cc2ccccc2C)c1
InChIInChI=1S/C17H19BrO2/c1-12-5-3-4-6-13(12)9-15(19)10-14-11-16(20-2)7-8-17(14)18/h3-8,11,15,19H,9-10H2,1-2H3
InChIKeyAJOHQWZMNQNDGP-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.91
Rot. Bonds5

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

1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol (PubChem CID 65325394) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
PubChem CID65325394
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(O)Cc2ccccc2C)c1
InChIInChI=1S/C17H19BrO2/c1-12-5-3-4-6-13(12)9-15(19)10-14-11-16(20-2)7-8-17(14)18/h3-8,11,15,19H,9-10H2,1-2H3
InChIKeyAJOHQWZMNQNDGP-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.91
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)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
CID 65313400
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol (CID 65325394) is 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol is COc1ccc(Br)c(CC(O)Cc2ccccc2C)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol?
The InChIKey is AJOHQWZMNQNDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-12-5-3-4-6-13(12)9-15(19)10-14-11-16(20-2)7-8-17(14)18/h3-8,11,15,19H,9-10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol has a molecular weight of 335.24 g/mol, XLogP of 3.91, 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-(2-methylphenyl)propan-2-ol is sourced from PubChem (CID 65325394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).