1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol

C19H18FNO4 — CID 91078792

IUPAC1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol
SMILESCCc1ccc(Oc2ccc(-n3c(O)ccc3O)cc2F)c(OC)c1
InChIInChI=1S/C19H18FNO4/c1-3-12-4-6-16(17(10-12)24-2)25-15-7-5-13(11-14(15)20)21-18(22)8-9-19(21)23/h4-11,22-23H,3H2,1-2H3
InChIKeyMFKPQMXDNBIJMF-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol

1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol (PubChem CID 91078792) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol
PubChem CID91078792
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol
SMILESCCc1ccc(Oc2ccc(-n3c(O)ccc3O)cc2F)c(OC)c1
InChIInChI=1S/C19H18FNO4/c1-3-12-4-6-16(17(10-12)24-2)25-15-7-5-13(11-14(15)20)21-18(22)8-9-19(21)23/h4-11,22-23H,3H2,1-2H3
InChIKeyMFKPQMXDNBIJMF-UHFFFAOYSA-N
XLogP4.39
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethyl-2-[(6-fluoropyridin-2-yl)oxy]phenol
CID 16752719
2-[(6-Fluoropyridin-2-yl)oxy]-5-propylphenol
CID 59191211
2-[(6-Fluoro-2-pyridinyl)oxy]-5-(2-methylpropyl)phenol
CID 59191239
4-[(E)-2-[6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyphenol
CID 135693450
4-[6-(3,4-Dimethoxyphenyl)-2-pyridinyl]phenol
CID 136502281
2-Methoxy-5-[1-(4-methoxyphenyl)-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol
CID 127043044
1-[2-fluoro-4-(4-fluoro-benzyloxy)-phenyl]-2,5-dimethyl-1H-pyrrole
CID 22137973
4-[2-[2-Methyl-5-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyrrol-1-yl]ethyl]phenol
CID 22387588
3-[4-[(6-Fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propan-1-ol
CID 59191208
2-[2-(Benzyloxy)-4-ethylphenoxy]-6-fluoropyridine
CID 59191354
5-Ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol
CID 59191423
6-[(2,5-Dihydroxypyrrol-1-yl)methyl]-3,4-diethoxy-2-fluorobenzonitrile
CID 90886288

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol?
The IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol (CID 91078792) is 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol is CCc1ccc(Oc2ccc(-n3c(O)ccc3O)cc2F)c(OC)c1.
What is the InChIKey of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol?
The InChIKey is MFKPQMXDNBIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-3-12-4-6-16(17(10-12)24-2)25-15-7-5-13(11-14(15)20)21-18(22)8-9-19(21)23/h4-11,22-23H,3H2,1-2H3.
What are the key properties of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol?
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol has a molecular weight of 343.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]pyrrole-2,5-diol is sourced from PubChem (CID 91078792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).