methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate

C46H34O6 — CID 177253516

IUPACmethyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1COc1ccc2ccccc2c1-c1c(OCc2c(C(=O)OC)ccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C46H34O6/c1-49-45(47)37-23-19-29-11-3-7-15-33(29)39(37)27-51-41-25-21-31-13-5-9-17-35(31)43(41)44-36-18-10-6-14-32(36)22-26-42(44)52-28-40-34-16-8-4-12-30(34)20-24-38(40)46(48)50-2/h3-26H,27-28H2,1-2H3
InChIKeyBOGRTVDWYLNDNB-UHFFFAOYSA-N
MW682.77 g/mol
LogP10.70
Rot. Bonds9

About methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate

methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate (PubChem CID 177253516) has the molecular formula C46H34O6 and a molecular weight of 682.77 g/mol. Its IUPAC name is methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
PubChem CID177253516
Molecular FormulaC46H34O6
Molecular Weight682.77 g/mol
Exact Mass682.24
IUPAC Namemethyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1COc1ccc2ccccc2c1-c1c(OCc2c(C(=O)OC)ccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C46H34O6/c1-49-45(47)37-23-19-29-11-3-7-15-33(29)39(37)27-51-41-25-21-31-13-5-9-17-35(31)43(41)44-36-18-10-6-14-32(36)22-26-42(44)52-28-40-34-16-8-4-12-30(34)20-24-38(40)46(48)50-2/h3-26H,27-28H2,1-2H3
InChIKeyBOGRTVDWYLNDNB-UHFFFAOYSA-N
XLogP10.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.77
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate with MolForge

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Related Compounds

methyl 4-[[1-[2-[(4-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylate
CID 177253515
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
2-(2-methoxycarbonyl-6-phenylmethoxynaphthalen-1-yl)acetic acid
CID 54112709

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate (CID 177253516) is methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1COc1ccc2ccccc2c1-c1c(OCc2c(C(=O)OC)ccc3ccccc23)ccc2ccccc12.
What is the InChIKey of methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate?
The InChIKey is BOGRTVDWYLNDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O6/c1-49-45(47)37-23-19-29-11-3-7-15-33(29)39(37)27-51-41-25-21-31-13-5-9-17-35(31)43(41)44-36-18-10-6-14-32(36)22-26-42(44)52-28-40-34-16-8-4-12-30(34)20-24-38(40)46(48)50-2/h3-26H,27-28H2,1-2H3.
What are the key properties of methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate?
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate has a molecular weight of 682.77 g/mol, XLogP of 10.70, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate is sourced from PubChem (CID 177253516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).