tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate

C14H19NO4 — CID 164592811

IUPACtert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOc2ccc(O)cc21
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-11-6-7-18-12-5-4-9(16)8-10(11)12/h4-5,8,11,16H,6-7H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyFIWIUPVUDGYINI-LLVKDONJSA-N
MW265.31 g/mol
LogP2.74
Rot. Bonds1

About tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate

tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate (PubChem CID 164592811) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
PubChem CID164592811
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOc2ccc(O)cc21
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-11-6-7-18-12-5-4-9(16)8-10(11)12/h4-5,8,11,16H,6-7H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyFIWIUPVUDGYINI-LLVKDONJSA-N
XLogP2.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 58215859
tert-butyl N-(6-iodo-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 70330503
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylcarbamothioylamino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 168919146
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-[1-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 108764660
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
tert-butyl N-[6-chloro-7-(pyridin-4-ylsulfanylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 87917973
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107682742
tert-butyl N-[7-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139331019
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate (CID 164592811) is tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCOc2ccc(O)cc21.
What is the InChIKey of tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate?
The InChIKey is FIWIUPVUDGYINI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-11-6-7-18-12-5-4-9(16)8-10(11)12/h4-5,8,11,16H,6-7H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate?
tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate is sourced from PubChem (CID 164592811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).