(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol

C14H14BrClO2S — CID 103432747

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2cc(Br)c(Cl)s2)ccc(C)c1C
InChIInChI=1S/C14H14BrClO2S/c1-7-4-5-9(13(18-3)8(7)2)12(17)11-6-10(15)14(16)19-11/h4-6,12,17H,1-3H3
InChIKeySYJPCLBJRSNQHN-UHFFFAOYSA-N
MW361.69 g/mol
LogP4.87
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol (PubChem CID 103432747) 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-3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
PubChem CID103432747
Molecular FormulaC14H14BrClO2S
Molecular Weight361.69 g/mol
Exact Mass359.96
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2cc(Br)c(Cl)s2)ccc(C)c1C
InChIInChI=1S/C14H14BrClO2S/c1-7-4-5-9(13(18-3)8(7)2)12(17)11-6-10(15)14(16)19-11/h4-6,12,17H,1-3H3
InChIKeySYJPCLBJRSNQHN-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

(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679800
(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433130
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
(2-methoxy-3,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 103432508
(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535475

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol (CID 103432747) is (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol is COc1c(C(O)c2cc(Br)c(Cl)s2)ccc(C)c1C.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The InChIKey is SYJPCLBJRSNQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO2S/c1-7-4-5-9(13(18-3)8(7)2)12(17)11-6-10(15)14(16)19-11/h4-6,12,17H,1-3H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-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-3,4-dimethylphenyl)methanol is sourced from PubChem (CID 103432747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).