1-[2-(3-methoxyphenyl)ethyl]pyrrole

C13H15NO — CID 10679575

IUPAC1-[2-(3-methoxyphenyl)ethyl]pyrrole
SMILESCOc1cccc(CCn2cccc2)c1
InChIInChI=1S/C13H15NO/c1-15-13-6-4-5-12(11-13)7-10-14-8-2-3-9-14/h2-6,8-9,11H,7,10H2,1H3
InChIKeyMNAZHHYFHZOITB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.74
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)ethyl]pyrrole

1-[2-(3-methoxyphenyl)ethyl]pyrrole (PubChem CID 10679575) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]pyrrole
PubChem CID10679575
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]pyrrole
SMILESCOc1cccc(CCn2cccc2)c1
InChIInChI=1S/C13H15NO/c1-15-13-6-4-5-12(11-13)7-10-14-8-2-3-9-14/h2-6,8-9,11H,7,10H2,1H3
InChIKeyMNAZHHYFHZOITB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14270128
[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol
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1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069
CID 87640434
CID 87640434
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 95456132
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-methoxyphenyl)methanethiol
CID 10749403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]pyrrole?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]pyrrole (CID 10679575) is 1-[2-(3-methoxyphenyl)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]pyrrole?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]pyrrole is COc1cccc(CCn2cccc2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]pyrrole?
The InChIKey is MNAZHHYFHZOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-13-6-4-5-12(11-13)7-10-14-8-2-3-9-14/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]pyrrole?
1-[2-(3-methoxyphenyl)ethyl]pyrrole has a molecular weight of 201.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]pyrrole is sourced from PubChem (CID 10679575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).