ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate

C21H20O4 — CID 91682838

IUPACethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc23)c1
InChIInChI=1S/C21H20O4/c1-3-24-21(22)16-11-12-19(23-2)20(13-16)25-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,3,14H2,1-2H3
InChIKeyXSCGKOKKEABFJF-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.60
Rot. Bonds6

About ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate

ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate (PubChem CID 91682838) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
PubChem CID91682838
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Nameethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc23)c1
InChIInChI=1S/C21H20O4/c1-3-24-21(22)16-11-12-19(23-2)20(13-16)25-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,3,14H2,1-2H3
InChIKeyXSCGKOKKEABFJF-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
(E)-3-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoic acid
CID 42232065
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide
CID 18763422
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126315248
4-[[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20989299
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate?
The IUPAC name of ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate (CID 91682838) is ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate?
The canonical SMILES for ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate is CCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc23)c1.
What is the InChIKey of ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate?
The InChIKey is XSCGKOKKEABFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-3-24-21(22)16-11-12-19(23-2)20(13-16)25-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate?
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate has a molecular weight of 336.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate is sourced from PubChem (CID 91682838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).