4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol

C16H17NO3 — CID 130044406

IUPAC4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol
SMILESNC1CCOc2c(O)cc(OCc3ccccc3)cc21
InChIInChI=1S/C16H17NO3/c17-14-6-7-19-16-13(14)8-12(9-15(16)18)20-10-11-4-2-1-3-5-11/h1-5,8-9,14,18H,6-7,10,17H2
InChIKeyVTKGEOUMIQLIPQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds3

About 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol

4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol (PubChem CID 130044406) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol
PubChem CID130044406
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol
SMILESNC1CCOc2c(O)cc(OCc3ccccc3)cc21
InChIInChI=1S/C16H17NO3/c17-14-6-7-19-16-13(14)8-12(9-15(16)18)20-10-11-4-2-1-3-5-11/h1-5,8-9,14,18H,6-7,10,17H2
InChIKeyVTKGEOUMIQLIPQ-UHFFFAOYSA-N
XLogP2.75
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
CID 69379697
(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 99499848
6-phenoxy-3,4-dihydro-2H-chromen-4-amine
CID 43155037
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
CID 57425044
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
CID 171196134
5-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]phenol
CID 171196544

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol (CID 130044406) is 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol is NC1CCOc2c(O)cc(OCc3ccccc3)cc21.
What is the InChIKey of 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is VTKGEOUMIQLIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-14-6-7-19-16-13(14)8-12(9-15(16)18)20-10-11-4-2-1-3-5-11/h1-5,8-9,14,18H,6-7,10,17H2.
What are the key properties of 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol?
4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 271.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 130044406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).