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

C22H16O4 — CID 826827

IUPACmethyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C22H16O4/c1-26-22(25)17-12-14-7-3-5-9-16(14)20(21(17)24)19-15-8-4-2-6-13(15)10-11-18(19)23/h2-12,23-24H,1H3
InChIKeyNQWPVDNYXWMQGJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.86
Rot. Bonds2

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

methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate (PubChem CID 826827) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate
PubChem CID826827
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Namemethyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C22H16O4/c1-26-22(25)17-12-14-7-3-5-9-16(14)20(21(17)24)19-15-8-4-2-6-13(15)10-11-18(19)23/h2-12,23-24H,1H3
InChIKeyNQWPVDNYXWMQGJ-UHFFFAOYSA-N
XLogP4.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate (CID 826827) is methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O.
What is the InChIKey of methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate?
The InChIKey is NQWPVDNYXWMQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-26-22(25)17-12-14-7-3-5-9-16(14)20(21(17)24)19-15-8-4-2-6-13(15)10-11-18(19)23/h2-12,23-24H,1H3.
What are the key properties of methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate?
methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 826827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).