1-[2-(4-methylphenoxy)ethyl]pyrrole

C13H15NO — CID 70911125

IUPAC1-[2-(4-methylphenoxy)ethyl]pyrrole
SMILESCc1ccc(OCCn2cccc2)cc1
InChIInChI=1S/C13H15NO/c1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14/h2-9H,10-11H2,1H3
InChIKeyBDMDOIZQJYKSFW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds4

About 1-[2-(4-methylphenoxy)ethyl]pyrrole

1-[2-(4-methylphenoxy)ethyl]pyrrole (PubChem CID 70911125) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]pyrrole
PubChem CID70911125
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[2-(4-methylphenoxy)ethyl]pyrrole
SMILESCc1ccc(OCCn2cccc2)cc1
InChIInChI=1S/C13H15NO/c1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14/h2-9H,10-11H2,1H3
InChIKeyBDMDOIZQJYKSFW-UHFFFAOYSA-N
XLogP2.88
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-naphthalen-2-yloxyethyl)pyrrole
CID 82083884
1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
CID 82078644
10-[2-(4-methylphenoxy)ethyl]phenoxazine
CID 123668404
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-methyl-4-propoxybenzene;yttrium
CID 59325724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]pyrrole?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]pyrrole (CID 70911125) is 1-[2-(4-methylphenoxy)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]pyrrole?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]pyrrole is Cc1ccc(OCCn2cccc2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]pyrrole?
The InChIKey is BDMDOIZQJYKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]pyrrole?
1-[2-(4-methylphenoxy)ethyl]pyrrole has a molecular weight of 201.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]pyrrole is sourced from PubChem (CID 70911125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).