2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol

C17H17NO3S — CID 165051103

IUPAC2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol
SMILESCOc1cc(C2=NC(C)=C(c3cccs3)C2)cc(OC)c1O
InChIInChI=1S/C17H17NO3S/c1-10-12(16-5-4-6-22-16)9-13(18-10)11-7-14(20-2)17(19)15(8-11)21-3/h4-8,19H,9H2,1-3H3
InChIKeyPRCPMLJVRXTCSY-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.09
Rot. Bonds4

About 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol

2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol (PubChem CID 165051103) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol
PubChem CID165051103
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol
SMILESCOc1cc(C2=NC(C)=C(c3cccs3)C2)cc(OC)c1O
InChIInChI=1S/C17H17NO3S/c1-10-12(16-5-4-6-22-16)9-13(18-10)11-7-14(20-2)17(19)15(8-11)21-3/h4-8,19H,9H2,1-3H3
InChIKeyPRCPMLJVRXTCSY-UHFFFAOYSA-N
XLogP4.09
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol (CID 165051103) is 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol is COc1cc(C2=NC(C)=C(c3cccs3)C2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol?
The InChIKey is PRCPMLJVRXTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-10-12(16-5-4-6-22-16)9-13(18-10)11-7-14(20-2)17(19)15(8-11)21-3/h4-8,19H,9H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol?
2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol has a molecular weight of 315.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(5-methyl-4-thiophen-2-yl-3H-pyrrol-2-yl)phenol is sourced from PubChem (CID 165051103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).