4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid

C22H21NO4 — CID 18973950

IUPAC4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid
SMILESCOc1cc(CCc2ccccc2OCc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C22H21NO4/c1-26-21-13-18(23-14-19(21)22(24)25)12-11-17-9-5-6-10-20(17)27-15-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)
InChIKeyBRMQUDBEQMTBKX-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.15
Rot. Bonds8

About 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid

4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid (PubChem CID 18973950) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid
PubChem CID18973950
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid
SMILESCOc1cc(CCc2ccccc2OCc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C22H21NO4/c1-26-21-13-18(23-14-19(21)22(24)25)12-11-17-9-5-6-10-20(17)27-15-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)
InChIKeyBRMQUDBEQMTBKX-UHFFFAOYSA-N
XLogP4.15
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
3-bromo-2-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid
CID 67659367
5-methyl-2-(2-naphthalen-1-ylethyl)-4-phenylmethoxypyridine;hydrochloride
CID 14441408
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate
CID 18973824
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid (CID 18973950) is 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid is COc1cc(CCc2ccccc2OCc2ccccc2)ncc1C(=O)O.
What is the InChIKey of 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid?
The InChIKey is BRMQUDBEQMTBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-26-21-13-18(23-14-19(21)22(24)25)12-11-17-9-5-6-10-20(17)27-15-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,25).
What are the key properties of 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid?
4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 18973950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).