(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol

C12H9Br2ClO2S — CID 80535475

IUPAC(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H9Br2ClO2S/c1-17-9-4-6(15)2-3-7(9)11(16)10-5-8(13)12(14)18-10/h2-5,11,16H,1H3
InChIKeyWHYZTADTHPXIDW-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.02
Rot. Bonds3

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

(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol (PubChem CID 80535475) has the molecular formula C12H9Br2ClO2S and a molecular weight of 412.53 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
PubChem CID80535475
Molecular FormulaC12H9Br2ClO2S
Molecular Weight412.53 g/mol
Exact Mass409.84
IUPAC Name(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H9Br2ClO2S/c1-17-9-4-6(15)2-3-7(9)11(16)10-5-8(13)12(14)18-10/h2-5,11,16H,1H3
InChIKeyWHYZTADTHPXIDW-UHFFFAOYSA-N
XLogP5.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
3-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102836139
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 80532328
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol (CID 80535475) is (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol is COc1cc(Cl)ccc1C(O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
The InChIKey is WHYZTADTHPXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClO2S/c1-17-9-4-6(15)2-3-7(9)11(16)10-5-8(13)12(14)18-10/h2-5,11,16H,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol has a molecular weight of 412.53 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol is sourced from PubChem (CID 80535475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).