methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate

C24H18O6 — CID 139815769

IUPACmethyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2ccc(O)c(-c3c(O)ccc4cccc(C(=O)OC)c34)c12
InChIInChI=1S/C24H18O6/c1-29-23(27)15-7-3-5-13-9-11-17(25)21(19(13)15)22-18(26)12-10-14-6-4-8-16(20(14)22)24(28)30-2/h3-12,25-26H,1-2H3
InChIKeyLSHNSFJUYXPWGV-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.64
Rot. Bonds3

About methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate

methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate (PubChem CID 139815769) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate
PubChem CID139815769
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Namemethyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2ccc(O)c(-c3c(O)ccc4cccc(C(=O)OC)c34)c12
InChIInChI=1S/C24H18O6/c1-29-23(27)15-7-3-5-13-9-11-17(25)21(19(13)15)22-18(26)12-10-14-6-4-8-16(20(14)22)24(28)30-2/h3-12,25-26H,1-2H3
InChIKeyLSHNSFJUYXPWGV-UHFFFAOYSA-N
XLogP4.64
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate?
The IUPAC name of methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate (CID 139815769) is methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate is COC(=O)c1cccc2ccc(O)c(-c3c(O)ccc4cccc(C(=O)OC)c34)c12.
What is the InChIKey of methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate?
The InChIKey is LSHNSFJUYXPWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-29-23(27)15-7-3-5-13-9-11-17(25)21(19(13)15)22-18(26)12-10-14-6-4-8-16(20(14)22)24(28)30-2/h3-12,25-26H,1-2H3.
What are the key properties of methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate?
methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate has a molecular weight of 402.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 139815769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).