1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole

C16H21NO — CID 82085211

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)c(OCCn2c(C)ccc2C)c1
InChIInChI=1S/C16H21NO/c1-12-5-6-13(2)16(11-12)18-10-9-17-14(3)7-8-15(17)4/h5-8,11H,9-10H2,1-4H3
InChIKeyJYFOFBLTMKTQPO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole

1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole (PubChem CID 82085211) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
PubChem CID82085211
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)c(OCCn2c(C)ccc2C)c1
InChIInChI=1S/C16H21NO/c1-12-5-6-13(2)16(11-12)18-10-9-17-14(3)7-8-15(17)4/h5-8,11H,9-10H2,1-4H3
InChIKeyJYFOFBLTMKTQPO-UHFFFAOYSA-N
XLogP3.80
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
1,4-dimethyl-2-pentoxybenzene
CID 59184214
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
CID 66202000
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
(2,5-dimethylphenoxy)methanamine
CID 89376053

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole (CID 82085211) is 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole is Cc1ccc(C)c(OCCn2c(C)ccc2C)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
The InChIKey is JYFOFBLTMKTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-5-6-13(2)16(11-12)18-10-9-17-14(3)7-8-15(17)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole has a molecular weight of 243.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 82085211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).