4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol

C22H18O4 — CID 10020507

IUPAC4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol
SMILESCOc1cccc2c(-c3ccc(O)c4c(OC)cccc34)ccc(O)c12
InChIInChI=1S/C22H18O4/c1-25-19-7-3-5-15-13(9-11-17(23)21(15)19)14-10-12-18(24)22-16(14)6-4-8-20(22)26-2/h3-12,23-24H,1-2H3
InChIKeyPJIHOMLREDSYPG-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.09
Rot. Bonds3

About 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol

4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol (PubChem CID 10020507) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol.

Molecular Properties

Compound Name4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol
PubChem CID10020507
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol
SMILESCOc1cccc2c(-c3ccc(O)c4c(OC)cccc34)ccc(O)c12
InChIInChI=1S/C22H18O4/c1-25-19-7-3-5-15-13(9-11-17(23)21(15)19)14-10-12-18(24)22-16(14)6-4-8-20(22)26-2/h3-12,23-24H,1-2H3
InChIKeyPJIHOMLREDSYPG-UHFFFAOYSA-N
XLogP5.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol?
The IUPAC name of 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol (CID 10020507) is 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol.
What is the SMILES notation for 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol?
The canonical SMILES for 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol is COc1cccc2c(-c3ccc(O)c4c(OC)cccc34)ccc(O)c12.
What is the InChIKey of 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol?
The InChIKey is PJIHOMLREDSYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-19-7-3-5-15-13(9-11-17(23)21(15)19)14-10-12-18(24)22-16(14)6-4-8-20(22)26-2/h3-12,23-24H,1-2H3.
What are the key properties of 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol?
4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol has a molecular weight of 346.38 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-5-methoxynaphthalen-1-yl)-8-methoxynaphthalen-1-ol is sourced from PubChem (CID 10020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).