(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol

C16H17BrO2S — CID 79217222

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccc(SC)cc1
InChIInChI=1S/C16H17BrO2S/c1-10-8-15(19-2)13(9-14(10)17)16(18)11-4-6-12(20-3)7-5-11/h4-9,16,18H,1-3H3
InChIKeyRXQYTIGVOFRJGZ-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.57
Rot. Bonds4

About (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 79217222) has the molecular formula C16H17BrO2S and a molecular weight of 353.28 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
PubChem CID79217222
Molecular FormulaC16H17BrO2S
Molecular Weight353.28 g/mol
Exact Mass352.01
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccc(SC)cc1
InChIInChI=1S/C16H17BrO2S/c1-10-8-15(19-2)13(9-14(10)17)16(18)11-4-6-12(20-3)7-5-11/h4-9,16,18H,1-3H3
InChIKeyRXQYTIGVOFRJGZ-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol (CID 79217222) is (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol is COc1cc(C)c(Br)cc1C(O)c1ccc(SC)cc1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is RXQYTIGVOFRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2S/c1-10-8-15(19-2)13(9-14(10)17)16(18)11-4-6-12(20-3)7-5-11/h4-9,16,18H,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol?
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 353.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 79217222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).