(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol

C10H13NO3 — CID 130642446

IUPAC(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
SMILESCOc1ccc2c(c1O)[C@@H](N)CCO2
InChIInChI=1S/C10H13NO3/c1-13-8-3-2-7-9(10(8)12)6(11)4-5-14-7/h2-3,6,12H,4-5,11H2,1H3/t6-/m0/s1
InChIKeyBTEHXTALOFADFK-LURJTMIESA-N
MW195.22 g/mol
LogP1.18
Rot. Bonds1

About (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol

(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol (PubChem CID 130642446) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
PubChem CID130642446
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
SMILESCOc1ccc2c(c1O)[C@@H](N)CCO2
InChIInChI=1S/C10H13NO3/c1-13-8-3-2-7-9(10(8)12)6(11)4-5-14-7/h2-3,6,12H,4-5,11H2,1H3/t6-/m0/s1
InChIKeyBTEHXTALOFADFK-LURJTMIESA-N
XLogP1.18
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 130706327
(4R)-4-amino-5-ethyl-3,4-dihydro-2H-chromen-6-ol
CID 130699791
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130615757
(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 130611343
(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol
CID 131076126
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
5-methoxy-2,3-dihydro-1-benzofuran-4-ol
CID 105432938
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130779709
5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 79416481
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol (CID 130642446) is (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol is COc1ccc2c(c1O)[C@@H](N)CCO2.
What is the InChIKey of (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is BTEHXTALOFADFK-LURJTMIESA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-8-3-2-7-9(10(8)12)6(11)4-5-14-7/h2-3,6,12H,4-5,11H2,1H3/t6-/m0/s1.
What are the key properties of (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol?
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 195.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 130642446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).