(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C12H14ClNOS — CID 80642386

IUPAC(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)c2sccc2Cl)c(C)c1C
InChIInChI=1S/C12H14ClNOS/c1-6-7(2)10(14-8(6)3)11(15)12-9(13)4-5-16-12/h4-5,11,14-15H,1-3H3
InChIKeyPXEMCPPCGZQMAH-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.74
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 80642386) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID80642386
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)c2sccc2Cl)c(C)c1C
InChIInChI=1S/C12H14ClNOS/c1-6-7(2)10(14-8(6)3)11(15)12-9(13)4-5-16-12/h4-5,11,14-15H,1-3H3
InChIKeyPXEMCPPCGZQMAH-UHFFFAOYSA-N
XLogP3.74
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 80642386) is (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1[nH]c(C(O)c2sccc2Cl)c(C)c1C.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is PXEMCPPCGZQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c1-6-7(2)10(14-8(6)3)11(15)12-9(13)4-5-16-12/h4-5,11,14-15H,1-3H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 255.77 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 80642386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).