[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol

C13H12ClNO2 — CID 66825550

IUPAC[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cc2Cl)cn1
InChIInChI=1S/C13H12ClNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-7,16H,8H2,1H3
InChIKeyGQJRPAPJNHJTEF-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.33
Rot. Bonds3

About [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol

[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol (PubChem CID 66825550) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
PubChem CID66825550
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)cc2Cl)cn1
InChIInChI=1S/C13H12ClNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-7,16H,8H2,1H3
InChIKeyGQJRPAPJNHJTEF-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
CID 81160757
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
N-methyl-1-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62123861

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
The IUPAC name of [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol (CID 66825550) is [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol is Cc1ccc(Oc2ccc(CO)cc2Cl)cn1.
What is the InChIKey of [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
The InChIKey is GQJRPAPJNHJTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-7,16H,8H2,1H3.
What are the key properties of [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol?
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol has a molecular weight of 249.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol is sourced from PubChem (CID 66825550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).