3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol

C11H15BrO2S — CID 117470282

IUPAC3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol
SMILESCOc1c(Br)cc(CCCO)cc1SC
InChIInChI=1S/C11H15BrO2S/c1-14-11-9(12)6-8(4-3-5-13)7-10(11)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyZEWZHHDCFACJCR-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol

3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol (PubChem CID 117470282) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol
PubChem CID117470282
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol
SMILESCOc1c(Br)cc(CCCO)cc1SC
InChIInChI=1S/C11H15BrO2S/c1-14-11-9(12)6-8(4-3-5-13)7-10(11)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyZEWZHHDCFACJCR-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117486894
2-methoxy-1,3-bis(methylsulfanyl)-5-octylbenzene
CID 15052387
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butanoic acid
CID 117429229
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butan-1-amine
CID 117391930
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propan-1-ol
CID 43770585
1-bromo-2-methoxy-3-methylsulfanyl-5-(trifluoromethyl)benzene
CID 164895108
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)-2-oxoacetic acid
CID 117490347
3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]propan-1-ol
CID 170887606
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353833
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol (CID 117470282) is 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol is COc1c(Br)cc(CCCO)cc1SC.
What is the InChIKey of 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The InChIKey is ZEWZHHDCFACJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c1-14-11-9(12)6-8(4-3-5-13)7-10(11)15-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol?
3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol has a molecular weight of 291.21 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117470282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).