(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate

C20H18O4 — CID 24505759

IUPAC(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
SMILESCCOc1cc2ccccc2cc1C(=O)Oc1ccccc1OC
InChIInChI=1S/C20H18O4/c1-3-23-19-13-15-9-5-4-8-14(15)12-16(19)20(21)24-18-11-7-6-10-17(18)22-2/h4-13H,3H2,1-2H3
InChIKeyHMFVJXUCYRJXOA-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.47
Rot. Bonds5

About (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate

(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate (PubChem CID 24505759) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
PubChem CID24505759
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
SMILESCCOc1cc2ccccc2cc1C(=O)Oc1ccccc1OC
InChIInChI=1S/C20H18O4/c1-3-23-19-13-15-9-5-4-8-14(15)12-16(19)20(21)24-18-11-7-6-10-17(18)22-2/h4-13H,3H2,1-2H3
InChIKeyHMFVJXUCYRJXOA-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
3-ethoxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 24585783
[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
CID 73398027
(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
CID 8778433
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
CID 101146176
CID 101146176
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate?
The IUPAC name of (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate (CID 24505759) is (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate is CCOc1cc2ccccc2cc1C(=O)Oc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate?
The InChIKey is HMFVJXUCYRJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-23-19-13-15-9-5-4-8-14(15)12-16(19)20(21)24-18-11-7-6-10-17(18)22-2/h4-13H,3H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate?
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 24505759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).