(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid

C12H14FNO3 — CID 134328189

IUPAC(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
SMILESCc1cc2c(c(F)c1O)CCC2N(C)C(=O)O
InChIInChI=1S/C12H14FNO3/c1-6-5-8-7(10(13)11(6)15)3-4-9(8)14(2)12(16)17/h5,9,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyGUXNTVNQIHFCGI-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.44
Rot. Bonds1

About (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid

(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid (PubChem CID 134328189) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
PubChem CID134328189
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
SMILESCc1cc2c(c(F)c1O)CCC2N(C)C(=O)O
InChIInChI=1S/C12H14FNO3/c1-6-5-8-7(10(13)11(6)15)3-4-9(8)14(2)12(16)17/h5,9,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyGUXNTVNQIHFCGI-UHFFFAOYSA-N
XLogP2.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
The IUPAC name of (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid (CID 134328189) is (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid.
What is the SMILES notation for (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
The canonical SMILES for (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid is Cc1cc2c(c(F)c1O)CCC2N(C)C(=O)O.
What is the InChIKey of (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
The InChIKey is GUXNTVNQIHFCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-6-5-8-7(10(13)11(6)15)3-4-9(8)14(2)12(16)17/h5,9,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid has a molecular weight of 239.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid is sourced from PubChem (CID 134328189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).