(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol

C12H9Cl3OS — CID 106862706

IUPAC(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)sc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3OS/c1-6-2-3-7(9(13)4-6)11(16)8-5-10(14)17-12(8)15/h2-5,11,16H,1H3
InChIKeyIQWDWJCKAQWJDX-UHFFFAOYSA-N
MW307.63 g/mol
LogP5.10
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 106862706) has the molecular formula C12H9Cl3OS and a molecular weight of 307.63 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID106862706
Molecular FormulaC12H9Cl3OS
Molecular Weight307.63 g/mol
Exact Mass305.94
IUPAC Name(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)sc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3OS/c1-6-2-3-7(9(13)4-6)11(16)8-5-10(14)17-12(8)15/h2-5,11,16H,1H3
InChIKeyIQWDWJCKAQWJDX-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
3-[bromo-(2,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 63444945
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964308
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol (CID 106862706) is (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol is Cc1ccc(C(O)c2cc(Cl)sc2Cl)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is IQWDWJCKAQWJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3OS/c1-6-2-3-7(9(13)4-6)11(16)8-5-10(14)17-12(8)15/h2-5,11,16H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 307.63 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 106862706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).