(2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone

C21H17NO3 — CID 902455

IUPAC(2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccc(C)cc2-3)c1
InChIInChI=1S/C21H17NO3/c1-12-3-5-18(23)16(7-12)21(24)14-9-15-11-25-19-6-4-13(2)8-17(19)20(15)22-10-14/h3-10,23H,11H2,1-2H3
InChIKeyCNNBJRQWIRDJNO-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.19
Rot. Bonds2

About (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone

(2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone (PubChem CID 902455) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone
PubChem CID902455
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccc(C)cc2-3)c1
InChIInChI=1S/C21H17NO3/c1-12-3-5-18(23)16(7-12)21(24)14-9-15-11-25-19-6-4-13(2)8-17(19)20(15)22-10-14/h3-10,23H,11H2,1-2H3
InChIKeyCNNBJRQWIRDJNO-UHFFFAOYSA-N
XLogP4.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone (CID 902455) is (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone is Cc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccc(C)cc2-3)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
The InChIKey is CNNBJRQWIRDJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-12-3-5-18(23)16(7-12)21(24)14-9-15-11-25-19-6-4-13(2)8-17(19)20(15)22-10-14/h3-10,23H,11H2,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone?
(2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone has a molecular weight of 331.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 902455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).