(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol

C14H14BrClO2S — CID 106679800

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H14BrClO2S/c1-7-4-8(2)12(10(5-7)18-3)13(17)11-6-9(15)14(16)19-11/h4-6,13,17H,1-3H3
InChIKeyHJRSPTJNTQAFQL-UHFFFAOYSA-N
MW361.69 g/mol
LogP4.87
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679800) has the molecular formula C14H14BrClO2S and a molecular weight of 361.69 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679800
Molecular FormulaC14H14BrClO2S
Molecular Weight361.69 g/mol
Exact Mass359.96
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H14BrClO2S/c1-7-4-8(2)12(10(5-7)18-3)13(17)11-6-9(15)14(16)19-11/h4-6,13,17H,1-3H3
InChIKeyHJRSPTJNTQAFQL-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.69
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680190
(4-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679678
(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679797
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(2-methoxy-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 106682522
(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679800) is (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is HJRSPTJNTQAFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO2S/c1-7-4-8(2)12(10(5-7)18-3)13(17)11-6-9(15)14(16)19-11/h4-6,13,17H,1-3H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol has a molecular weight of 361.69 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).