(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol

C11H6Cl4OS — CID 63426938

IUPAC(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl4OS/c12-5-1-2-6(8(13)3-5)10(16)7-4-9(14)17-11(7)15/h1-4,10,16H
InChIKeyBXIWQGOZPRWECT-UHFFFAOYSA-N
MW328.05 g/mol
LogP5.44
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol

(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 63426938) has the molecular formula C11H6Cl4OS and a molecular weight of 328.05 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID63426938
Molecular FormulaC11H6Cl4OS
Molecular Weight328.05 g/mol
Exact Mass325.89
IUPAC Name(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl4OS/c12-5-1-2-6(8(13)3-5)10(16)7-4-9(14)17-11(7)15/h1-4,10,16H
InChIKeyBXIWQGOZPRWECT-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.05
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964190
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol (CID 63426938) is (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol is OC(c1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is BXIWQGOZPRWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl4OS/c12-5-1-2-6(8(13)3-5)10(16)7-4-9(14)17-11(7)15/h1-4,10,16H.
What are the key properties of (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 328.05 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 63426938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).