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

C17H15NO3 — CID 63653966

IUPAC[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
SMILESOCc1ccccc1Oc1nc2ccccc2cc1CO
InChIInChI=1S/C17H15NO3/c19-10-13-6-2-4-8-16(13)21-17-14(11-20)9-12-5-1-3-7-15(12)18-17/h1-9,19-20H,10-11H2
InChIKeyBDUAJVZLDZWYPA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.01
Rot. Bonds4

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

[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol (PubChem CID 63653966) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
PubChem CID63653966
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
SMILESOCc1ccccc1Oc1nc2ccccc2cc1CO
InChIInChI=1S/C17H15NO3/c19-10-13-6-2-4-8-16(13)21-17-14(11-20)9-12-5-1-3-7-15(12)18-17/h1-9,19-20H,10-11H2
InChIKeyBDUAJVZLDZWYPA-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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Related Compounds

[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
CID 28964083
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 61229145
[2-(3-fluoro-4-methylphenoxy)quinolin-3-yl]methanol
CID 107169696
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
3-(bromomethyl)-2-(2-chlorophenoxy)quinoline
CID 107086929
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63653116
(2-methylsulfanylquinolin-3-yl)methanol
CID 63835189
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
CID 133448200

Frequently Asked Questions

What is the IUPAC name of [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
The IUPAC name of [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol (CID 63653966) is [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol.
What is the SMILES notation for [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
The canonical SMILES for [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol is OCc1ccccc1Oc1nc2ccccc2cc1CO.
What is the InChIKey of [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
The InChIKey is BDUAJVZLDZWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-10-13-6-2-4-8-16(13)21-17-14(11-20)9-12-5-1-3-7-15(12)18-17/h1-9,19-20H,10-11H2.
What are the key properties of [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol?
[2-[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 [2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 63653966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).