methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate

C26H22O6 — CID 1204410

IUPACmethyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(OC)c(C(=O)OC)cc3ccccc23)c1OC
InChIInChI=1S/C26H22O6/c1-29-23-19(25(27)31-3)13-15-9-5-7-11-17(15)21(23)22-18-12-8-6-10-16(18)14-20(24(22)30-2)26(28)32-4/h5-14H,1-4H3
InChIKeyNWULKMYMWPIZAX-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.25
Rot. Bonds5

About methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate

methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (PubChem CID 1204410) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
PubChem CID1204410
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Namemethyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(OC)c(C(=O)OC)cc3ccccc23)c1OC
InChIInChI=1S/C26H22O6/c1-29-23-19(25(27)31-3)13-15-9-5-7-11-17(15)21(23)22-18-12-8-6-10-16(18)14-20(24(22)30-2)26(28)32-4/h5-14H,1-4H3
InChIKeyNWULKMYMWPIZAX-UHFFFAOYSA-N
XLogP5.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (CID 1204410) is methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(-c2c(OC)c(C(=O)OC)cc3ccccc23)c1OC.
What is the InChIKey of methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The InChIKey is NWULKMYMWPIZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-29-23-19(25(27)31-3)13-15-9-5-7-11-17(15)21(23)22-18-12-8-6-10-16(18)14-20(24(22)30-2)26(28)32-4/h5-14H,1-4H3.
What are the key properties of methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 1204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).