1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole

C16H15NO2 — CID 168525775

IUPAC1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole
SMILESCCOc1ccc(-c2ccco2)cc1-n1cccc1
InChIInChI=1S/C16H15NO2/c1-2-18-16-8-7-13(15-6-5-11-19-15)12-14(16)17-9-3-4-10-17/h3-12H,2H2,1H3
InChIKeyBXPLBPWVUTUVLH-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.14
Rot. Bonds4

About 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole

1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole (PubChem CID 168525775) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole
PubChem CID168525775
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole
SMILESCCOc1ccc(-c2ccco2)cc1-n1cccc1
InChIInChI=1S/C16H15NO2/c1-2-18-16-8-7-13(15-6-5-11-19-15)12-14(16)17-9-3-4-10-17/h3-12H,2H2,1H3
InChIKeyBXPLBPWVUTUVLH-UHFFFAOYSA-N
XLogP4.14
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-propoxyphenyl)furan
CID 168525179
2-(5-bromo-2-ethoxyphenyl)furan
CID 168526403
2-(2-ethoxyphenyl)furan
CID 168524531
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
4,5-diethoxy-2-(furan-2-yl)benzonitrile
CID 168528745
4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 121197305
5-[4-(furan-2-yl)-2-methylphenoxy]-2-methylpyridine
CID 168527769
2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
CID 168526436
1-(2,6-diethoxyphenyl)pyrrole
CID 141150995
2-(3-bromo-5-chloro-4-ethoxyphenyl)furan
CID 168524802
N,N-diethyl-6-(furan-2-yl)naphthalen-2-amine
CID 139372580
2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
CID 23026024

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole?
The IUPAC name of 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole (CID 168525775) is 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole.
What is the SMILES notation for 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole?
The canonical SMILES for 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole is CCOc1ccc(-c2ccco2)cc1-n1cccc1.
What is the InChIKey of 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole?
The InChIKey is BXPLBPWVUTUVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-18-16-8-7-13(15-6-5-11-19-15)12-14(16)17-9-3-4-10-17/h3-12H,2H2,1H3.
What are the key properties of 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole?
1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole has a molecular weight of 253.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(furan-2-yl)phenyl]pyrrole is sourced from PubChem (CID 168525775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).