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

C20H17NO3 — CID 151393349

IUPAC(2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol
SMILESOCc1ccc2c(n1)COC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C20H17NO3/c22-13-17-11-12-19-18(21-17)14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,22H,13-14H2
InChIKeyOUXORRVDTCPDGU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.38
Rot. Bonds3

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

(2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol (PubChem CID 151393349) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol.

Molecular Properties

Compound Name(2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol
PubChem CID151393349
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol
SMILESOCc1ccc2c(n1)COC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C20H17NO3/c22-13-17-11-12-19-18(21-17)14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,22H,13-14H2
InChIKeyOUXORRVDTCPDGU-UHFFFAOYSA-N
XLogP3.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
(2-{3-[(2-Methyl-8-quinolinyl)oxy]propoxy}phenyl)methanol
CID 2993392
Bis(4-(2-quinolylmethoxy)phenyl)methanol
CID 10767637
Benzenemethanol, 3-(2-quinolinylmethoxy)-
CID 14650410
2-(3-Butoxy-phenoxymethyl)-quinoline
CID 14650340
2-[2-(3-hydroxyphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
CID 137133390
2-[(3-Propoxyphenoxy)methyl]quinoline
CID 168280068
Phenol, 3-(2-quinolinylmethoxy)-
CID 10988736
4-(Quinolin-2-ylmethoxy)benzyl alcohol
CID 28775506
4-Phenyl-1-(4-(2-quinolinylmethoxy)phenyl)butanol
CID 10068544
Benzenemethanol, 2,5-dimethyl-alpha-ethyl-alpha-(4-((6-methyl-2-pyridinyl)methoxy)phenyl)-
CID 13882404

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol?
The IUPAC name of (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol (CID 151393349) is (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol.
What is the SMILES notation for (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol?
The canonical SMILES for (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol is OCc1ccc2c(n1)COC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol?
The InChIKey is OUXORRVDTCPDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-13-17-11-12-19-18(21-17)14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,22H,13-14H2.
What are the key properties of (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol?
(2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol has a molecular weight of 319.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenyl-4H-[1,3]dioxino[5,4-b]pyridin-6-yl)methanol is sourced from PubChem (CID 151393349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).