1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol

C16H19NO4 — CID 103173312

IUPAC1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1ccnc(COc2ccccc2C(C)O)c1OC
InChIInChI=1S/C16H19NO4/c1-11(18)12-6-4-5-7-14(12)21-10-13-16(20-3)15(19-2)8-9-17-13/h4-9,11,18H,10H2,1-3H3
InChIKeyCLAHOOVKCBMWOF-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.73
Rot. Bonds6

About 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol

1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 103173312) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
PubChem CID103173312
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
SMILESCOc1ccnc(COc2ccccc2C(C)O)c1OC
InChIInChI=1S/C16H19NO4/c1-11(18)12-6-4-5-7-14(12)21-10-13-16(20-3)15(19-2)8-9-17-13/h4-9,11,18H,10H2,1-3H3
InChIKeyCLAHOOVKCBMWOF-UHFFFAOYSA-N
XLogP2.73
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
CID 103173777
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
2-benzyl-3,4-dimethoxypyridine
CID 141149610

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol (CID 103173312) is 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol is COc1ccnc(COc2ccccc2C(C)O)c1OC.
What is the InChIKey of 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is CLAHOOVKCBMWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(18)12-6-4-5-7-14(12)21-10-13-16(20-3)15(19-2)8-9-17-13/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol?
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 289.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 103173312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).