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(2-phenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol

HCID 428642
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Basic information

CAS
38199-16-5
Standard SMILES
OCc1ccc2c(n1)COC(c1ccccc1)O2
InChIKey
IITZDXYDSIJEFR-UHFFFAOYSA-N
Molecular formula
C14H13NO3
Average molar mass
243.26 g/mol
Monoisotopic mass
243.08954328

Names & identifiers

Preferred name
(2-phenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol
IUPAC
(2-phenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol
English name
(4-phenyl-3,5-dioxa-10-azabicyclo[4.4.0]deca-7,9,11-trien-9-yl)methanol
Molecular formula
C14H13NO3
Molecular weight
243.25792

Names & synonyms

38199-16-5(2-phenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanolNSC241175SCHEMBL11726877DTXSID00330293IITZDXYDSIJEFR-UHFFFAOYSA-NNSC-2411756-Hydroxymethyl-2-phenyl-4H-pyrido[3,2-d]-1,3-dioxin(2-Phenyl-2H,4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol(4-phenyl-3,5-dioxa-10-azabicyclo[4.4.0]deca-7,9,11-trien-9-yl)methanol

Database identifiers

CAS
38199-16-5
PubChem CID
428642
DTXSID
DTXSID00330293

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
51.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
268

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Related reactions

4 records
New reaction record
HRID 437392 reaction equation
HRID 437392As productuspto-grants-1977_06
HRID 437393 reaction equation
HRID 437393As reactantuspto-grants-1977_06
HRID 830069 reaction equation
HRID 830069As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2140189 reaction equation
HRID 2140189As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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