2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole

C15H18ClNO — CID 90749347

IUPAC2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole
SMILESCCOCc1ccc(Cl)c(-c2cc(C)cn2C)c1
InChIInChI=1S/C15H18ClNO/c1-4-18-10-12-5-6-14(16)13(8-12)15-7-11(2)9-17(15)3/h5-9H,4,10H2,1-3H3
InChIKeyIGXOYHVTFBNECY-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.19
Rot. Bonds4

About 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole

2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole (PubChem CID 90749347) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole.

Molecular Properties

Compound Name2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole
PubChem CID90749347
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole
SMILESCCOCc1ccc(Cl)c(-c2cc(C)cn2C)c1
InChIInChI=1S/C15H18ClNO/c1-4-18-10-12-5-6-14(16)13(8-12)15-7-11(2)9-17(15)3/h5-9H,4,10H2,1-3H3
InChIKeyIGXOYHVTFBNECY-UHFFFAOYSA-N
XLogP4.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole?
The IUPAC name of 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole (CID 90749347) is 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole.
What is the SMILES notation for 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole?
The canonical SMILES for 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole is CCOCc1ccc(Cl)c(-c2cc(C)cn2C)c1.
What is the InChIKey of 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole?
The InChIKey is IGXOYHVTFBNECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-18-10-12-5-6-14(16)13(8-12)15-7-11(2)9-17(15)3/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole?
2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole has a molecular weight of 263.77 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(ethoxymethyl)phenyl]-1,4-dimethylpyrrole is sourced from PubChem (CID 90749347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).