sodium 6-methoxynaphthalen-2-olate

C11H9NaO2 — CID 25112534

IUPACsodium 6-methoxynaphthalen-2-olate
SMILESCOc1ccc2cc([O-])ccc2c1.[Na+]
InChIInChI=1S/C11H10O2.Na/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;/h2-7,12H,1H3;/q;+1/p-1
InChIKeyXHZFUIDGOPOHCN-UHFFFAOYSA-M
MW196.18 g/mol
LogP-1.07
Rot. Bonds1

About sodium 6-methoxynaphthalen-2-olate

sodium 6-methoxynaphthalen-2-olate (PubChem CID 25112534) has the molecular formula C11H9NaO2 and a molecular weight of 196.18 g/mol. Its IUPAC name is sodium 6-methoxynaphthalen-2-olate.

Molecular Properties

Compound Namesodium 6-methoxynaphthalen-2-olate
PubChem CID25112534
Molecular FormulaC11H9NaO2
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Namesodium 6-methoxynaphthalen-2-olate
SMILESCOc1ccc2cc([O-])ccc2c1.[Na+]
InChIInChI=1S/C11H10O2.Na/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;/h2-7,12H,1H3;/q;+1/p-1
InChIKeyXHZFUIDGOPOHCN-UHFFFAOYSA-M
XLogP-1.07
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
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Frequently Asked Questions

What is the IUPAC name of sodium 6-methoxynaphthalen-2-olate?
The IUPAC name of sodium 6-methoxynaphthalen-2-olate (CID 25112534) is sodium 6-methoxynaphthalen-2-olate.
What is the SMILES notation for sodium 6-methoxynaphthalen-2-olate?
The canonical SMILES for sodium 6-methoxynaphthalen-2-olate is COc1ccc2cc([O-])ccc2c1.[Na+].
What is the InChIKey of sodium 6-methoxynaphthalen-2-olate?
The InChIKey is XHZFUIDGOPOHCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O2.Na/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;/h2-7,12H,1H3;/q;+1/p-1.
What are the key properties of sodium 6-methoxynaphthalen-2-olate?
sodium 6-methoxynaphthalen-2-olate has a molecular weight of 196.18 g/mol, XLogP of -1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-methoxynaphthalen-2-olate is sourced from PubChem (CID 25112534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).