(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol

C14H15BrO2S — CID 106680190

IUPAC(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cc(Br)cs1
InChIInChI=1S/C14H15BrO2S/c1-8-4-9(2)13(11(5-8)17-3)14(16)12-6-10(15)7-18-12/h4-7,14,16H,1-3H3
InChIKeyNOYFWRZJWWGOTG-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.22
Rot. Bonds3

About (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol

(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106680190) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106680190
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cc(Br)cs1
InChIInChI=1S/C14H15BrO2S/c1-8-4-9(2)13(11(5-8)17-3)14(16)12-6-10(15)7-18-12/h4-7,14,16H,1-3H3
InChIKeyNOYFWRZJWWGOTG-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

(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
(4-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679678
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679800
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(2-methoxy-4,6-dimethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 106679764
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679797
(2-methoxy-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 106682522
1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679584
(2-methoxy-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 106682549
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106680190) is (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is NOYFWRZJWWGOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-8-4-9(2)13(11(5-8)17-3)14(16)12-6-10(15)7-18-12/h4-7,14,16H,1-3H3.
What are the key properties of (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(4-bromothiophen-2-yl)-(2-methoxy-4,6-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 (4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106680190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).