sodium 4-(4-chloro-2-methylphenyl)phenolate

C13H10ClNaO — CID 174930978

IUPACsodium 4-(4-chloro-2-methylphenyl)phenolate
SMILESCc1cc(Cl)ccc1-c1ccc([O-])cc1.[Na+]
InChIInChI=1S/C13H11ClO.Na/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10;/h2-8,15H,1H3;/q;+1/p-1
InChIKeySHIVBXISMACVJQ-UHFFFAOYSA-M
MW240.66 g/mol
LogP0.39
Rot. Bonds1

About sodium 4-(4-chloro-2-methylphenyl)phenolate

sodium 4-(4-chloro-2-methylphenyl)phenolate (PubChem CID 174930978) has the molecular formula C13H10ClNaO and a molecular weight of 240.66 g/mol. Its IUPAC name is sodium 4-(4-chloro-2-methylphenyl)phenolate.

Molecular Properties

Compound Namesodium 4-(4-chloro-2-methylphenyl)phenolate
PubChem CID174930978
Molecular FormulaC13H10ClNaO
Molecular Weight240.66 g/mol
Exact Mass240.03
IUPAC Namesodium 4-(4-chloro-2-methylphenyl)phenolate
SMILESCc1cc(Cl)ccc1-c1ccc([O-])cc1.[Na+]
InChIInChI=1S/C13H11ClO.Na/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10;/h2-8,15H,1H3;/q;+1/p-1
InChIKeySHIVBXISMACVJQ-UHFFFAOYSA-M
XLogP0.39
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
CID 71242096
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
CID 91338289

Frequently Asked Questions

What is the IUPAC name of sodium 4-(4-chloro-2-methylphenyl)phenolate?
The IUPAC name of sodium 4-(4-chloro-2-methylphenyl)phenolate (CID 174930978) is sodium 4-(4-chloro-2-methylphenyl)phenolate.
What is the SMILES notation for sodium 4-(4-chloro-2-methylphenyl)phenolate?
The canonical SMILES for sodium 4-(4-chloro-2-methylphenyl)phenolate is Cc1cc(Cl)ccc1-c1ccc([O-])cc1.[Na+].
What is the InChIKey of sodium 4-(4-chloro-2-methylphenyl)phenolate?
The InChIKey is SHIVBXISMACVJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11ClO.Na/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10;/h2-8,15H,1H3;/q;+1/p-1.
What are the key properties of sodium 4-(4-chloro-2-methylphenyl)phenolate?
sodium 4-(4-chloro-2-methylphenyl)phenolate has a molecular weight of 240.66 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(4-chloro-2-methylphenyl)phenolate is sourced from PubChem (CID 174930978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).