naphthalen-1-ylmethyl 2,4-dimethoxybenzoate

C20H18O4 — CID 2504618

IUPACnaphthalen-1-ylmethyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C20H18O4/c1-22-16-10-11-18(19(12-16)23-2)20(21)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3
InChIKeyKKIMOUWUVVSABD-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.21
Rot. Bonds5

About naphthalen-1-ylmethyl 2,4-dimethoxybenzoate

naphthalen-1-ylmethyl 2,4-dimethoxybenzoate (PubChem CID 2504618) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2,4-dimethoxybenzoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2,4-dimethoxybenzoate
PubChem CID2504618
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namenaphthalen-1-ylmethyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C20H18O4/c1-22-16-10-11-18(19(12-16)23-2)20(21)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3
InChIKeyKKIMOUWUVVSABD-UHFFFAOYSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
CID 9203493
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 7766882
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
(2-bromophenyl)methyl 4-amino-2-methoxybenzoate
CID 82832102
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
CID 16588780
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 126388643

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2,4-dimethoxybenzoate?
The IUPAC name of naphthalen-1-ylmethyl 2,4-dimethoxybenzoate (CID 2504618) is naphthalen-1-ylmethyl 2,4-dimethoxybenzoate.
What is the SMILES notation for naphthalen-1-ylmethyl 2,4-dimethoxybenzoate?
The canonical SMILES for naphthalen-1-ylmethyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2cccc3ccccc23)c(OC)c1.
What is the InChIKey of naphthalen-1-ylmethyl 2,4-dimethoxybenzoate?
The InChIKey is KKIMOUWUVVSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-16-10-11-18(19(12-16)23-2)20(21)24-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3.
What are the key properties of naphthalen-1-ylmethyl 2,4-dimethoxybenzoate?
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate has a molecular weight of 322.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2,4-dimethoxybenzoate is sourced from PubChem (CID 2504618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).