[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol

C17H15NO3 — CID 61229145

IUPAC[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
SMILESOCc1ccc(Oc2nc3ccccc3cc2CO)cc1
InChIInChI=1S/C17H15NO3/c19-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)18-17/h1-9,19-20H,10-11H2
InChIKeyTVRLPDQAQFJOPT-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.01
Rot. Bonds4

About [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol

[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol (PubChem CID 61229145) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
PubChem CID61229145
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
SMILESOCc1ccc(Oc2nc3ccccc3cc2CO)cc1
InChIInChI=1S/C17H15NO3/c19-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)18-17/h1-9,19-20H,10-11H2
InChIKeyTVRLPDQAQFJOPT-UHFFFAOYSA-N
XLogP3.01
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
The IUPAC name of [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol (CID 61229145) is [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol is OCc1ccc(Oc2nc3ccccc3cc2CO)cc1.
What is the InChIKey of [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
The InChIKey is TVRLPDQAQFJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)18-17/h1-9,19-20H,10-11H2.
What are the key properties of [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol has a molecular weight of 281.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 61229145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).