methyl 4-(6-methoxynaphthalen-2-yl)benzoate

C19H16O3 — CID 90298521

IUPACmethyl 4-(6-methoxynaphthalen-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C19H16O3/c1-21-18-10-9-16-11-15(7-8-17(16)12-18)13-3-5-14(6-4-13)19(20)22-2/h3-12H,1-2H3
InChIKeyHTJQRINHVRJMED-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.30
Rot. Bonds3

About methyl 4-(6-methoxynaphthalen-2-yl)benzoate

methyl 4-(6-methoxynaphthalen-2-yl)benzoate (PubChem CID 90298521) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 4-(6-methoxynaphthalen-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-methoxynaphthalen-2-yl)benzoate
PubChem CID90298521
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namemethyl 4-(6-methoxynaphthalen-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C19H16O3/c1-21-18-10-9-16-11-15(7-8-17(16)12-18)13-3-5-14(6-4-13)19(20)22-2/h3-12H,1-2H3
InChIKeyHTJQRINHVRJMED-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Alpha-Naphthoflavone
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Naproxcinod
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Cra 13
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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methoxynaphthalen-2-yl)benzoate?
The IUPAC name of methyl 4-(6-methoxynaphthalen-2-yl)benzoate (CID 90298521) is methyl 4-(6-methoxynaphthalen-2-yl)benzoate.
What is the SMILES notation for methyl 4-(6-methoxynaphthalen-2-yl)benzoate?
The canonical SMILES for methyl 4-(6-methoxynaphthalen-2-yl)benzoate is COC(=O)c1ccc(-c2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of methyl 4-(6-methoxynaphthalen-2-yl)benzoate?
The InChIKey is HTJQRINHVRJMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-21-18-10-9-16-11-15(7-8-17(16)12-18)13-3-5-14(6-4-13)19(20)22-2/h3-12H,1-2H3.
What are the key properties of methyl 4-(6-methoxynaphthalen-2-yl)benzoate?
methyl 4-(6-methoxynaphthalen-2-yl)benzoate has a molecular weight of 292.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methoxynaphthalen-2-yl)benzoate is sourced from PubChem (CID 90298521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).