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

C24H18O6 — CID 10905491

IUPACmethyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(O)c(C(=O)OC)cc3ccccc23)c1O
InChIInChI=1S/C24H18O6/c1-29-23(27)17-11-13-7-3-5-9-15(13)19(21(17)25)20-16-10-6-4-8-14(16)12-18(22(20)26)24(28)30-2/h3-12,25-26H,1-2H3
InChIKeySCOGIYZPQMECLW-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.64
Rot. Bonds3

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

methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (PubChem CID 10905491) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
PubChem CID10905491
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Namemethyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(O)c(C(=O)OC)cc3ccccc23)c1O
InChIInChI=1S/C24H18O6/c1-29-23(27)17-11-13-7-3-5-9-15(13)19(21(17)25)20-16-10-6-4-8-14(16)12-18(22(20)26)24(28)30-2/h3-12,25-26H,1-2H3
InChIKeySCOGIYZPQMECLW-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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Related Compounds

methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
tert-butyl 3-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-1-yl]naphthalene-2-carboxylate
CID 100966328
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
methyl 2-tetracen-5-ylbenzoate
CID 86720844
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
CID 135783962
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (CID 10905491) is methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(-c2c(O)c(C(=O)OC)cc3ccccc23)c1O.
What is the InChIKey of methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The InChIKey is SCOGIYZPQMECLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-29-23(27)17-11-13-7-3-5-9-15(13)19(21(17)25)20-16-10-6-4-8-14(16)12-18(22(20)26)24(28)30-2/h3-12,25-26H,1-2H3.
What are the key properties of methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-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 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 10905491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).