4-(5-fluoro-1-methylpyrrol-3-yl)phenol

C11H10FNO — CID 141130735

IUPAC4-(5-fluoro-1-methylpyrrol-3-yl)phenol
SMILESCn1cc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C11H10FNO/c1-13-7-9(6-11(13)12)8-2-4-10(14)5-3-8/h2-7,14H,1H3
InChIKeySZAKMBOQIIGRIF-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.54
Rot. Bonds1

About 4-(5-fluoro-1-methylpyrrol-3-yl)phenol

4-(5-fluoro-1-methylpyrrol-3-yl)phenol (PubChem CID 141130735) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylpyrrol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-fluoro-1-methylpyrrol-3-yl)phenol
PubChem CID141130735
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name4-(5-fluoro-1-methylpyrrol-3-yl)phenol
SMILESCn1cc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C11H10FNO/c1-13-7-9(6-11(13)12)8-2-4-10(14)5-3-8/h2-7,14H,1H3
InChIKeySZAKMBOQIIGRIF-UHFFFAOYSA-N
XLogP2.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylpyrrol-3-yl)phenol?
The IUPAC name of 4-(5-fluoro-1-methylpyrrol-3-yl)phenol (CID 141130735) is 4-(5-fluoro-1-methylpyrrol-3-yl)phenol.
What is the SMILES notation for 4-(5-fluoro-1-methylpyrrol-3-yl)phenol?
The canonical SMILES for 4-(5-fluoro-1-methylpyrrol-3-yl)phenol is Cn1cc(-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-(5-fluoro-1-methylpyrrol-3-yl)phenol?
The InChIKey is SZAKMBOQIIGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-13-7-9(6-11(13)12)8-2-4-10(14)5-3-8/h2-7,14H,1H3.
What are the key properties of 4-(5-fluoro-1-methylpyrrol-3-yl)phenol?
4-(5-fluoro-1-methylpyrrol-3-yl)phenol has a molecular weight of 191.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylpyrrol-3-yl)phenol is sourced from PubChem (CID 141130735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).