methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate

C26H22O6 — CID 102507797

IUPACmethyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(OC)cc2c1-c1c(C(=O)OC)ccc2ccc(OC)cc12
InChIInChI=1S/C26H22O6/c1-29-17-9-5-15-7-11-19(25(27)31-3)23(21(15)13-17)24-20(26(28)32-4)12-8-16-6-10-18(30-2)14-22(16)24/h5-14H,1-4H3
InChIKeyPILNBYNBVHUKQV-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.25
Rot. Bonds5

About methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate

methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (PubChem CID 102507797) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
PubChem CID102507797
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Namemethyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(OC)cc2c1-c1c(C(=O)OC)ccc2ccc(OC)cc12
InChIInChI=1S/C26H22O6/c1-29-17-9-5-15-7-11-19(25(27)31-3)23(21(15)13-17)24-20(26(28)32-4)12-8-16-6-10-18(30-2)14-22(16)24/h5-14H,1-4H3
InChIKeyPILNBYNBVHUKQV-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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Related Compounds

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CID 156391
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CID 4409
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CID 23681059
Beta-Naphthoflavone
CID 2361
Adapalene
CID 60164
Alpha-Naphthoflavone
CID 11790
Naproxcinod
CID 9884642
6-Methoxy-2-naphthylacetic acid
CID 32176
Methallenestril
CID 10599
Cra 13
CID 9799417
2-(6-Methoxy-2-naphthyl)propionic acid
CID 1302
Menbutone
CID 71818

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (CID 102507797) is methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is COC(=O)c1ccc2ccc(OC)cc2c1-c1c(C(=O)OC)ccc2ccc(OC)cc12.
What is the InChIKey of methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The InChIKey is PILNBYNBVHUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-29-17-9-5-15-7-11-19(25(27)31-3)23(21(15)13-17)24-20(26(28)32-4)12-8-16-6-10-18(30-2)14-22(16)24/h5-14H,1-4H3.
What are the key properties of methyl 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
methyl 7-methoxy-1-(7-methoxy-2-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 7-methoxy-1-(7-methoxy-2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 102507797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).