(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol

C13H12BrClO3S — CID 79596576

IUPAC(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cscc2Br)c(Cl)c1OC
InChIInChI=1S/C13H12BrClO3S/c1-17-10-4-3-7(11(15)13(10)18-2)12(16)8-5-19-6-9(8)14/h3-6,12,16H,1-2H3
InChIKeyPIFVPCIMFOJOHD-UHFFFAOYSA-N
MW363.66 g/mol
LogP4.26
Rot. Bonds4

About (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol

(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol (PubChem CID 79596576) has the molecular formula C13H12BrClO3S and a molecular weight of 363.66 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
PubChem CID79596576
Molecular FormulaC13H12BrClO3S
Molecular Weight363.66 g/mol
Exact Mass361.94
IUPAC Name(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cscc2Br)c(Cl)c1OC
InChIInChI=1S/C13H12BrClO3S/c1-17-10-4-3-7(11(15)13(10)18-2)12(16)8-5-19-6-9(8)14/h3-6,12,16H,1-2H3
InChIKeyPIFVPCIMFOJOHD-UHFFFAOYSA-N
XLogP4.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.66
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol
CID 63895329
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995
2-[(2-chloro-3,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432216
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
CID 104789594
(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63895524
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
CID 79566842
(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808837

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol (CID 79596576) is (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cscc2Br)c(Cl)c1OC.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol?
The InChIKey is PIFVPCIMFOJOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO3S/c1-17-10-4-3-7(11(15)13(10)18-2)12(16)8-5-19-6-9(8)14/h3-6,12,16H,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol?
(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol has a molecular weight of 363.66 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 79596576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).