(4-amino-2,3-dihydrochromen-4-yl)methanol

C10H13NO2 — CID 61054620

IUPAC(4-amino-2,3-dihydrochromen-4-yl)methanol
SMILESNC1(CO)CCOc2ccccc21
InChIInChI=1S/C10H13NO2/c11-10(7-12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2
InChIKeyZOIFHRNZUASICF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.62
Rot. Bonds1

About (4-amino-2,3-dihydrochromen-4-yl)methanol

(4-amino-2,3-dihydrochromen-4-yl)methanol (PubChem CID 61054620) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-amino-2,3-dihydrochromen-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-2,3-dihydrochromen-4-yl)methanol
PubChem CID61054620
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-amino-2,3-dihydrochromen-4-yl)methanol
SMILESNC1(CO)CCOc2ccccc21
InChIInChI=1S/C10H13NO2/c11-10(7-12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2
InChIKeyZOIFHRNZUASICF-UHFFFAOYSA-N
XLogP0.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydrochromen-4-yl)methanol?
The IUPAC name of (4-amino-2,3-dihydrochromen-4-yl)methanol (CID 61054620) is (4-amino-2,3-dihydrochromen-4-yl)methanol.
What is the SMILES notation for (4-amino-2,3-dihydrochromen-4-yl)methanol?
The canonical SMILES for (4-amino-2,3-dihydrochromen-4-yl)methanol is NC1(CO)CCOc2ccccc21.
What is the InChIKey of (4-amino-2,3-dihydrochromen-4-yl)methanol?
The InChIKey is ZOIFHRNZUASICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(7-12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2.
What are the key properties of (4-amino-2,3-dihydrochromen-4-yl)methanol?
(4-amino-2,3-dihydrochromen-4-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydrochromen-4-yl)methanol is sourced from PubChem (CID 61054620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).