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

C19H20FNO3 — CID 134328109

IUPAC(4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
SMILESCc1cc2c(c(F)c1OCc1ccccc1)CCC2N(C)C(=O)O
InChIInChI=1S/C19H20FNO3/c1-12-10-15-14(8-9-16(15)21(2)19(22)23)17(20)18(12)24-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyRSINNQFULGONPH-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.31
Rot. Bonds4

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

(4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid (PubChem CID 134328109) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
PubChem CID134328109
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
SMILESCc1cc2c(c(F)c1OCc1ccccc1)CCC2N(C)C(=O)O
InChIInChI=1S/C19H20FNO3/c1-12-10-15-14(8-9-16(15)21(2)19(22)23)17(20)18(12)24-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyRSINNQFULGONPH-UHFFFAOYSA-N
XLogP4.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
The IUPAC name of (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid (CID 134328109) is (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid.
What is the SMILES notation for (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
The canonical SMILES for (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid is Cc1cc2c(c(F)c1OCc1ccccc1)CCC2N(C)C(=O)O.
What is the InChIKey of (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
The InChIKey is RSINNQFULGONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12-10-15-14(8-9-16(15)21(2)19(22)23)17(20)18(12)24-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3,(H,22,23).
What are the key properties of (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid?
(4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid has a molecular weight of 329.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-6-methyl-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid is sourced from PubChem (CID 134328109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).