(4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol

C16H14FNO — CID 162174886

IUPAC(4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol
SMILESCc1cccc2c(F)ccc(C(O)C3=NC=CC3)c12
InChIInChI=1S/C16H14FNO/c1-10-4-2-5-11-13(17)8-7-12(15(10)11)16(19)14-6-3-9-18-14/h2-5,7-9,16,19H,6H2,1H3
InChIKeyUHXIYVXFIQMTTG-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.68
Rot. Bonds2

About (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol

(4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol (PubChem CID 162174886) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol
PubChem CID162174886
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol
SMILESCc1cccc2c(F)ccc(C(O)C3=NC=CC3)c12
InChIInChI=1S/C16H14FNO/c1-10-4-2-5-11-13(17)8-7-12(15(10)11)16(19)14-6-3-9-18-14/h2-5,7-9,16,19H,6H2,1H3
InChIKeyUHXIYVXFIQMTTG-UHFFFAOYSA-N
XLogP3.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol?
The IUPAC name of (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol (CID 162174886) is (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol.
What is the SMILES notation for (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol?
The canonical SMILES for (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol is Cc1cccc2c(F)ccc(C(O)C3=NC=CC3)c12.
What is the InChIKey of (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol?
The InChIKey is UHXIYVXFIQMTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-4-2-5-11-13(17)8-7-12(15(10)11)16(19)14-6-3-9-18-14/h2-5,7-9,16,19H,6H2,1H3.
What are the key properties of (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol?
(4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol has a molecular weight of 255.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-8-methylnaphthalen-1-yl)-(3H-pyrrol-2-yl)methanol is sourced from PubChem (CID 162174886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).