(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol

C14H15BrO2S — CID 107964365

IUPAC(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)c2csc(Br)c2)cc1C
InChIInChI=1S/C14H15BrO2S/c1-8-4-10(5-9(2)14(8)17-3)13(16)11-6-12(15)18-7-11/h4-7,13,16H,1-3H3
InChIKeyFEFRIIQBEPAUSK-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.22
Rot. Bonds3

About (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol

(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol (PubChem CID 107964365) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
PubChem CID107964365
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)c2csc(Br)c2)cc1C
InChIInChI=1S/C14H15BrO2S/c1-8-4-10(5-9(2)14(8)17-3)13(16)11-6-12(15)18-7-11/h4-7,13,16H,1-3H3
InChIKeyFEFRIIQBEPAUSK-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067897
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 114021555
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
CID 114021565
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
(4-methoxy-3,5-dimethylphenyl)-(3-methylfuran-2-yl)methanol
CID 83068781
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 105133536

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol (CID 107964365) is (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol is COc1c(C)cc(C(O)c2csc(Br)c2)cc1C.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The InChIKey is FEFRIIQBEPAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-8-4-10(5-9(2)14(8)17-3)13(16)11-6-12(15)18-7-11/h4-7,13,16H,1-3H3.
What are the key properties of (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol?
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol has a molecular weight of 327.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 107964365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).