bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol

C18H14Cl2OS — CID 56669321

IUPACbis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2OS/c1-12-10-11-22-17(12)18(21,13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-11,21H,1H3
InChIKeyDUBBLMNGOSRYNB-UHFFFAOYSA-N
MW349.28 g/mol
LogP5.65
Rot. Bonds3

About bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol

bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 56669321) has the molecular formula C18H14Cl2OS and a molecular weight of 349.28 g/mol. Its IUPAC name is bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Namebis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID56669321
Molecular FormulaC18H14Cl2OS
Molecular Weight349.28 g/mol
Exact Mass348.01
IUPAC Namebis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2OS/c1-12-10-11-22-17(12)18(21,13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-11,21H,1H3
InChIKeyDUBBLMNGOSRYNB-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol (CID 56669321) is bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is DUBBLMNGOSRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2OS/c1-12-10-11-22-17(12)18(21,13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-11,21H,1H3.
What are the key properties of bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol?
bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 349.28 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 56669321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).