2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid

C24H23NO4 — CID 58172989

IUPAC2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid
SMILESCc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1
InChIInChI=1S/C24H23NO4/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(9-18)13-29-22-10-19-14-28-21(11-23(26)27)20(19)12-25-22/h3-10,12,21H,11,13-14H2,1-2H3,(H,26,27)
InChIKeyBXUPSQCAUMEOTH-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.99
Rot. Bonds6

About 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid

2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid (PubChem CID 58172989) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid
PubChem CID58172989
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid
SMILESCc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1
InChIInChI=1S/C24H23NO4/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(9-18)13-29-22-10-19-14-28-21(11-23(26)27)20(19)12-25-22/h3-10,12,21H,11,13-14H2,1-2H3,(H,26,27)
InChIKeyBXUPSQCAUMEOTH-UHFFFAOYSA-N
XLogP4.99
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid (CID 58172989) is 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid is Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1.
What is the InChIKey of 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid?
The InChIKey is BXUPSQCAUMEOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15-5-3-6-16(2)24(15)18-8-4-7-17(9-18)13-29-22-10-19-14-28-21(11-23(26)27)20(19)12-25-22/h3-10,12,21H,11,13-14H2,1-2H3,(H,26,27).
What are the key properties of 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid?
2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid has a molecular weight of 389.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1,3-dihydrofuro[3,4-c]pyridin-3-yl]acetic acid is sourced from PubChem (CID 58172989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).