1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol

C12H17NO3 — CID 154341753

IUPAC1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol
SMILESNCC(O)COC1CCc2ccccc2O1
InChIInChI=1S/C12H17NO3/c13-7-10(14)8-15-12-6-5-9-3-1-2-4-11(9)16-12/h1-4,10,12,14H,5-8,13H2
InChIKeySBDNPKYGKKPWOO-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.67
Rot. Bonds4

About 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol

1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol (PubChem CID 154341753) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol
PubChem CID154341753
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol
SMILESNCC(O)COC1CCc2ccccc2O1
InChIInChI=1S/C12H17NO3/c13-7-10(14)8-15-12-6-5-9-3-1-2-4-11(9)16-12/h1-4,10,12,14H,5-8,13H2
InChIKeySBDNPKYGKKPWOO-UHFFFAOYSA-N
XLogP0.67
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-3,4-dihydro-2H-chromene
CID 14668691
1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 21319053
2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
CID 11031797
3,4-dihydro-2H-chromen-2-yl trifluoromethanesulfonate
CID 19028100
4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 91578834
3,4-dihydro-2H-chromen-2-yl phenyl carbonate
CID 54471598
2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
CID 139962317
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyacetonitrile
CID 54763538
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol
CID 123628917
2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene
CID 71175002

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol (CID 154341753) is 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol is NCC(O)COC1CCc2ccccc2O1.
What is the InChIKey of 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol?
The InChIKey is SBDNPKYGKKPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-7-10(14)8-15-12-6-5-9-3-1-2-4-11(9)16-12/h1-4,10,12,14H,5-8,13H2.
What are the key properties of 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol?
1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol has a molecular weight of 223.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol is sourced from PubChem (CID 154341753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).