naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate

C21H20O4 — CID 7906497

IUPACnaphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCc2cccc3ccccc23)ccc1OC
InChIInChI=1S/C21H20O4/c1-3-24-20-13-16(11-12-19(20)23-2)21(22)25-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,3,14H2,1-2H3
InChIKeyOCFJORGMRIMWJO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.60
Rot. Bonds6

About naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate

naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate (PubChem CID 7906497) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
PubChem CID7906497
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Namenaphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCc2cccc3ccccc23)ccc1OC
InChIInChI=1S/C21H20O4/c1-3-24-20-13-16(11-12-19(20)23-2)21(22)25-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,3,14H2,1-2H3
InChIKeyOCFJORGMRIMWJO-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

ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558646
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126315248

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate?
The IUPAC name of naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate (CID 7906497) is naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCc2cccc3ccccc23)ccc1OC.
What is the InChIKey of naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate?
The InChIKey is OCFJORGMRIMWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-3-24-20-13-16(11-12-19(20)23-2)21(22)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 naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate?
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate 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 naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7906497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).