2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol

C24H17NO3 — CID 137133396

IUPAC2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3O)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C24H17NO3/c26-16-7-5-6-15(12-16)19-13-21(17-8-1-3-10-22(17)27)25-24-18-9-2-4-11-23(18)28-14-20(19)24/h1-13,26-27H,14H2
InChIKeyQMTWGTOXSCBOKT-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.39
Rot. Bonds2

About 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol

2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol (PubChem CID 137133396) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
PubChem CID137133396
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3O)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C24H17NO3/c26-16-7-5-6-15(12-16)19-13-21(17-8-1-3-10-22(17)27)25-24-18-9-2-4-11-23(18)28-14-20(19)24/h1-13,26-27H,14H2
InChIKeyQMTWGTOXSCBOKT-UHFFFAOYSA-N
XLogP5.39
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The IUPAC name of 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol (CID 137133396) is 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol is Oc1cccc(-c2cc(-c3ccccc3O)nc3c2COc2ccccc2-3)c1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The InChIKey is QMTWGTOXSCBOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-16-7-5-6-15(12-16)19-13-21(17-8-1-3-10-22(17)27)25-24-18-9-2-4-11-23(18)28-14-20(19)24/h1-13,26-27H,14H2.
What are the key properties of 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol has a molecular weight of 367.40 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol is sourced from PubChem (CID 137133396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).