(8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate

C15H16FNO3 — CID 156527389

IUPAC(8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate
SMILESCc1c(O)cc2ccc(OC(=O)NC(C)C)cc2c1F
InChIInChI=1S/C15H16FNO3/c1-8(2)17-15(19)20-11-5-4-10-6-13(18)9(3)14(16)12(10)7-11/h4-8,18H,1-3H3,(H,17,19)
InChIKeyLFVGVCLQWNDNTO-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.49
Rot. Bonds2

About (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate

(8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate (PubChem CID 156527389) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate
PubChem CID156527389
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name(8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate
SMILESCc1c(O)cc2ccc(OC(=O)NC(C)C)cc2c1F
InChIInChI=1S/C15H16FNO3/c1-8(2)17-15(19)20-11-5-4-10-6-13(18)9(3)14(16)12(10)7-11/h4-8,18H,1-3H3,(H,17,19)
InChIKeyLFVGVCLQWNDNTO-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate?
The IUPAC name of (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate (CID 156527389) is (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate is Cc1c(O)cc2ccc(OC(=O)NC(C)C)cc2c1F.
What is the InChIKey of (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate?
The InChIKey is LFVGVCLQWNDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-8(2)17-15(19)20-11-5-4-10-6-13(18)9(3)14(16)12(10)7-11/h4-8,18H,1-3H3,(H,17,19).
What are the key properties of (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate?
(8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate has a molecular weight of 277.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-6-hydroxy-7-methylnaphthalen-2-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 156527389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).