methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate

C15H15NO4 — CID 16785387

IUPACmethyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C15H15NO4/c1-18-14-9-12(15(17)19-2)3-4-13(14)20-10-11-5-7-16-8-6-11/h3-9H,10H2,1-2H3
InChIKeyKOFCHUMPFJALFB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.46
Rot. Bonds5

About methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate

methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate (PubChem CID 16785387) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
PubChem CID16785387
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C15H15NO4/c1-18-14-9-12(15(17)19-2)3-4-13(14)20-10-11-5-7-16-8-6-11/h3-9H,10H2,1-2H3
InChIKeyKOFCHUMPFJALFB-UHFFFAOYSA-N
XLogP2.46
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25349706
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate
CID 118332629
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate?
The IUPAC name of methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate (CID 16785387) is methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate is COC(=O)c1ccc(OCc2ccncc2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate?
The InChIKey is KOFCHUMPFJALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-14-9-12(15(17)19-2)3-4-13(14)20-10-11-5-7-16-8-6-11/h3-9H,10H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate?
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate is sourced from PubChem (CID 16785387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).