methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate

C20H18O3 — CID 118713063

IUPACmethyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C20H18O3/c1-13-4-5-17(20(21)23-3)12-19(13)16-7-6-15-11-18(22-2)9-8-14(15)10-16/h4-12H,1-3H3
InChIKeyJUJPCNCJXKOTND-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.61
Rot. Bonds3

About methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate

methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate (PubChem CID 118713063) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate
PubChem CID118713063
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namemethyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C20H18O3/c1-13-4-5-17(20(21)23-3)12-19(13)16-7-6-15-11-18(22-2)9-8-14(15)10-16/h4-12H,1-3H3
InChIKeyJUJPCNCJXKOTND-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate?
The IUPAC name of methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate (CID 118713063) is methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate?
The canonical SMILES for methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate is COC(=O)c1ccc(C)c(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate?
The InChIKey is JUJPCNCJXKOTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13-4-5-17(20(21)23-3)12-19(13)16-7-6-15-11-18(22-2)9-8-14(15)10-16/h4-12H,1-3H3.
What are the key properties of methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate?
methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate has a molecular weight of 306.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxynaphthalen-2-yl)-4-methylbenzoate is sourced from PubChem (CID 118713063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).