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

C13H19BrO3 — CID 113391274

IUPAC1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CC(C)OC)c1
InChIInChI=1S/C13H19BrO3/c1-9(16-2)6-11(15)7-10-8-12(17-3)4-5-13(10)14/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyIMLJOSYTJSRVRS-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.79
Rot. Bonds6

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

1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol (PubChem CID 113391274) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
PubChem CID113391274
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CC(C)OC)c1
InChIInChI=1S/C13H19BrO3/c1-9(16-2)6-11(15)7-10-8-12(17-3)4-5-13(10)14/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyIMLJOSYTJSRVRS-UHFFFAOYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-butan-2-ylsulfanylpropan-2-ol
CID 65325108
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol (CID 113391274) is 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol is COc1ccc(Br)c(CC(O)CC(C)OC)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol?
The InChIKey is IMLJOSYTJSRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-9(16-2)6-11(15)7-10-8-12(17-3)4-5-13(10)14/h4-5,8-9,11,15H,6-7H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol?
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol has a molecular weight of 303.20 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol is sourced from PubChem (CID 113391274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).