(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol

C12H9BrCl2OS — CID 107098965

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9BrCl2OS/c1-6-7(3-2-4-9(6)14)11(16)10-5-8(13)12(15)17-10/h2-5,11,16H,1H3
InChIKeyYVUQXKICSZVSNB-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.21
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol (PubChem CID 107098965) has the molecular formula C12H9BrCl2OS and a molecular weight of 352.08 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
PubChem CID107098965
Molecular FormulaC12H9BrCl2OS
Molecular Weight352.08 g/mol
Exact Mass349.89
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9BrCl2OS/c1-6-7(3-2-4-9(6)14)11(16)10-5-8(13)12(15)17-10/h2-5,11,16H,1H3
InChIKeyYVUQXKICSZVSNB-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-bromo-2-methylphenyl)-N-methylmethanamine
CID 102828340
(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol (CID 107098965) is (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol is Cc1c(Cl)cccc1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol?
The InChIKey is YVUQXKICSZVSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2OS/c1-6-7(3-2-4-9(6)14)11(16)10-5-8(13)12(15)17-10/h2-5,11,16H,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol has a molecular weight of 352.08 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 107098965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).