sodium 2-chloro-4-methoxyphenolate

C7H6ClNaO2 — CID 23710122

IUPACsodium 2-chloro-4-methoxyphenolate
SMILESCOc1ccc([O-])c(Cl)c1.[Na+]
InChIInChI=1S/C7H7ClO2.Na/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,1H3;/q;+1/p-1
InChIKeyCVQRCJFVHINAMU-UHFFFAOYSA-M
MW180.57 g/mol
LogP-1.57
Rot. Bonds1

About sodium 2-chloro-4-methoxyphenolate

sodium 2-chloro-4-methoxyphenolate (PubChem CID 23710122) has the molecular formula C7H6ClNaO2 and a molecular weight of 180.57 g/mol. Its IUPAC name is sodium 2-chloro-4-methoxyphenolate.

Molecular Properties

Compound Namesodium 2-chloro-4-methoxyphenolate
PubChem CID23710122
Molecular FormulaC7H6ClNaO2
Molecular Weight180.57 g/mol
Exact Mass180.00
IUPAC Namesodium 2-chloro-4-methoxyphenolate
SMILESCOc1ccc([O-])c(Cl)c1.[Na+]
InChIInChI=1S/C7H7ClO2.Na/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,1H3;/q;+1/p-1
InChIKeyCVQRCJFVHINAMU-UHFFFAOYSA-M
XLogP-1.57
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.57
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methoxy-1-methylbenzene
CID 6951757
2-chloro-1-hydroxysulfanyl-4-methoxybenzene
CID 123526479
2-tert-butyl-4-methoxyphenolate
CID 19016621
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
2-ethyl-4-methoxyphenolate
CID 101457575
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
sodium 6-methoxynaphthalen-2-olate
CID 25112534
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199

Frequently Asked Questions

What is the IUPAC name of sodium 2-chloro-4-methoxyphenolate?
The IUPAC name of sodium 2-chloro-4-methoxyphenolate (CID 23710122) is sodium 2-chloro-4-methoxyphenolate.
What is the SMILES notation for sodium 2-chloro-4-methoxyphenolate?
The canonical SMILES for sodium 2-chloro-4-methoxyphenolate is COc1ccc([O-])c(Cl)c1.[Na+].
What is the InChIKey of sodium 2-chloro-4-methoxyphenolate?
The InChIKey is CVQRCJFVHINAMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7ClO2.Na/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,1H3;/q;+1/p-1.
What are the key properties of sodium 2-chloro-4-methoxyphenolate?
sodium 2-chloro-4-methoxyphenolate has a molecular weight of 180.57 g/mol, XLogP of -1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-chloro-4-methoxyphenolate is sourced from PubChem (CID 23710122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).