1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole

C16H21NO — CID 82085214

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
SMILESCc1cc(C)cc(OCCn2c(C)ccc2C)c1
InChIInChI=1S/C16H21NO/c1-12-9-13(2)11-16(10-12)18-8-7-17-14(3)5-6-15(17)4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUVVUUQVEHBVOEW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole

1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole (PubChem CID 82085214) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
PubChem CID82085214
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
SMILESCc1cc(C)cc(OCCn2c(C)ccc2C)c1
InChIInChI=1S/C16H21NO/c1-12-9-13(2)11-16(10-12)18-8-7-17-14(3)5-6-15(17)4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUVVUUQVEHBVOEW-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-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
CID 82082756
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
3-butoxy-5-methylaniline
CID 112648427
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-methylpropanoic acid
CID 23591487
1-[2-(3,5-dimethylphenoxy)ethyl]-5-methylindole-2,3-dione
CID 18802407
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid
CID 43091595
1,3-bis(2-chloroethoxy)-5-methylbenzene
CID 86221036
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole (CID 82085214) is 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole is Cc1cc(C)cc(OCCn2c(C)ccc2C)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
The InChIKey is UVVUUQVEHBVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-9-13(2)11-16(10-12)18-8-7-17-14(3)5-6-15(17)4/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole?
1-[2-(3,5-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-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 82085214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).