(4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol

C15H12FNO — CID 114088277

IUPAC(4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H12FNO/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(18)10-7-8-17-9-10/h1-9,15,17-18H
InChIKeyUKKHKBSRBLBXPL-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.39
Rot. Bonds2

About (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol

(4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol (PubChem CID 114088277) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol
PubChem CID114088277
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name(4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol
SMILESOC(c1cc[nH]c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H12FNO/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(18)10-7-8-17-9-10/h1-9,15,17-18H
InChIKeyUKKHKBSRBLBXPL-UHFFFAOYSA-N
XLogP3.39
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol (CID 114088277) is (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol is OC(c1cc[nH]c1)c1ccc(F)c2ccccc12.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is UKKHKBSRBLBXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(18)10-7-8-17-9-10/h1-9,15,17-18H.
What are the key properties of (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol?
(4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol has a molecular weight of 241.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 114088277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).