5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol

C19H17NO5 — CID 134130870

IUPAC5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1O
InChIInChI=1S/C19H17NO5/c1-23-17-3-2-11(7-16(17)22)14-6-12(10-21)13-8-18-19(9-15(13)20-14)25-5-4-24-18/h2-3,6-9,21-22H,4-5,10H2,1H3
InChIKeyPPIVHTALFCTOCI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.88
Rot. Bonds3

About 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol

5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol (PubChem CID 134130870) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol
PubChem CID134130870
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1O
InChIInChI=1S/C19H17NO5/c1-23-17-3-2-11(7-16(17)22)14-6-12(10-21)13-8-18-19(9-15(13)20-14)25-5-4-24-18/h2-3,6-9,21-22H,4-5,10H2,1H3
InChIKeyPPIVHTALFCTOCI-UHFFFAOYSA-N
XLogP2.88
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol?
The IUPAC name of 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol (CID 134130870) is 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol?
The canonical SMILES for 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol is COc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1O.
What is the InChIKey of 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol?
The InChIKey is PPIVHTALFCTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-17-3-2-11(7-16(17)22)14-6-12(10-21)13-8-18-19(9-15(13)20-14)25-5-4-24-18/h2-3,6-9,21-22H,4-5,10H2,1H3.
What are the key properties of 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol?
5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol has a molecular weight of 339.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol is sourced from PubChem (CID 134130870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).