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

C24H17NO3 — CID 137133397

IUPAC3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C24H17NO3/c26-17-10-8-15(9-11-17)22-13-20(16-4-3-5-18(27)12-16)21-14-28-23-7-2-1-6-19(23)24(21)25-22/h1-13,26-27H,14H2
InChIKeyPGFVQHMHXXRNLM-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.39
Rot. Bonds2

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

3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol (PubChem CID 137133397) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
PubChem CID137133397
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C24H17NO3/c26-17-10-8-15(9-11-17)22-13-20(16-4-3-5-18(27)12-16)21-14-28-23-7-2-1-6-19(23)24(21)25-22/h1-13,26-27H,14H2
InChIKeyPGFVQHMHXXRNLM-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 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
The IUPAC name of 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol (CID 137133397) is 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol is Oc1ccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2OC3)cc1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
The InChIKey is PGFVQHMHXXRNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-17-10-8-15(9-11-17)22-13-20(16-4-3-5-18(27)12-16)21-14-28-23-7-2-1-6-19(23)24(21)25-22/h1-13,26-27H,14H2.
What are the key properties of 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol?
3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-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 3-[2-(4-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol is sourced from PubChem (CID 137133397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).