2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid

C21H19NO4 — CID 22241542

IUPAC2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
SMILESCc1cccc(COc2cccc(OCc3ccccn3)c2)c1C(=O)O
InChIInChI=1S/C21H19NO4/c1-15-6-4-7-16(20(15)21(23)24)13-25-18-9-5-10-19(12-18)26-14-17-8-2-3-11-22-17/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyHNNOFFIPDRKUAR-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.25
Rot. Bonds7

About 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid

2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid (PubChem CID 22241542) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
PubChem CID22241542
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
SMILESCc1cccc(COc2cccc(OCc3ccccn3)c2)c1C(=O)O
InChIInChI=1S/C21H19NO4/c1-15-6-4-7-16(20(15)21(23)24)13-25-18-9-5-10-19(12-18)26-14-17-8-2-3-11-22-17/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyHNNOFFIPDRKUAR-UHFFFAOYSA-N
XLogP4.25
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241388
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581
ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid
CID 142024065
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
2-methyl-6-[[3-[(2-methyl-8H-benzo[7]annulen-7-yl)methoxy]phenoxy]methyl]benzoic acid
CID 142024173
2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241519
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
CID 75509167
2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid
CID 22241421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The IUPAC name of 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid (CID 22241542) is 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid is Cc1cccc(COc2cccc(OCc3ccccn3)c2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The InChIKey is HNNOFFIPDRKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-6-4-7-16(20(15)21(23)24)13-25-18-9-5-10-19(12-18)26-14-17-8-2-3-11-22-17/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid has a molecular weight of 349.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 22241542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).