(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol

C12H8Br2Cl2O2S — CID 107964358

IUPAC(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2cc(Br)sc2Br)cc1Cl
InChIInChI=1S/C12H8Br2Cl2O2S/c1-18-9-4-7(15)5(2-8(9)16)11(17)6-3-10(13)19-12(6)14/h2-4,11,17H,1H3
InChIKeyUCNWLJXMQNPZQI-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.67
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol

(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol (PubChem CID 107964358) has the molecular formula C12H8Br2Cl2O2S and a molecular weight of 446.98 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
PubChem CID107964358
Molecular FormulaC12H8Br2Cl2O2S
Molecular Weight446.98 g/mol
Exact Mass443.80
IUPAC Name(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2cc(Br)sc2Br)cc1Cl
InChIInChI=1S/C12H8Br2Cl2O2S/c1-18-9-4-7(15)5(2-8(9)16)11(17)6-3-10(13)19-12(6)14/h2-4,11,17H,1H3
InChIKeyUCNWLJXMQNPZQI-UHFFFAOYSA-N
XLogP5.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107961280
2,5-dibromo-3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964535
(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 107969859
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955
2,5-dibromo-3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]thiophene
CID 114021686
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol (CID 107964358) is (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol is COc1cc(Cl)c(C(O)c2cc(Br)sc2Br)cc1Cl.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol?
The InChIKey is UCNWLJXMQNPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2O2S/c1-18-9-4-7(15)5(2-8(9)16)11(17)6-3-10(13)19-12(6)14/h2-4,11,17H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol has a molecular weight of 446.98 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 107964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).