sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol

C13H19ClNaO+ — CID 18362565

IUPACsodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
SMILESCCc1c(C)c(Cl)c(O)c(C(C)C)c1C.[Na+]
InChIInChI=1S/C13H19ClO.Na/c1-6-10-8(4)11(7(2)3)13(15)12(14)9(10)5;/h7,15H,6H2,1-5H3;/q;+1
InChIKeyUDMMZGGHHKWFHT-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.35
Rot. Bonds2

About sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol

sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol (PubChem CID 18362565) has the molecular formula C13H19ClNaO+ and a molecular weight of 249.74 g/mol. Its IUPAC name is sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol.

Molecular Properties

Compound Namesodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
PubChem CID18362565
Molecular FormulaC13H19ClNaO+
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Namesodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
SMILESCCc1c(C)c(Cl)c(O)c(C(C)C)c1C.[Na+]
InChIInChI=1S/C13H19ClO.Na/c1-6-10-8(4)11(7(2)3)13(15)12(14)9(10)5;/h7,15H,6H2,1-5H3;/q;+1
InChIKeyUDMMZGGHHKWFHT-UHFFFAOYSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
4-chloro-2,6-diethyl-3,5-dimethylphenol
CID 175454218
2,3-bis(hydroxymethyl)-5-methyl-6-propan-2-ylbenzene-1,4-diol
CID 59142069
2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
CID 139946373
2,3,4,5-tetrachloro-6-ethylphenol
CID 18953189
4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
CID 167152305
2-butan-2-yl-4,6-dichloro-5-fluoro-3-methylphenol
CID 167081741
4,6-dimethyl-5-propan-2-ylbenzene-1,2,3-triol
CID 87849370
4,6-dichloro-2-methyl-3-propan-2-ylphenol
CID 130033448
3-(3-chloro-4-hydroxy-2,5,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112855
2,6-diethyl-3,5-dimethyl-4-propan-2-yloxyphenol
CID 162375100
3-ethyl-5,6-dimethylbenzene-1,2,4-triol
CID 130033537

Frequently Asked Questions

What is the IUPAC name of sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol?
The IUPAC name of sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol (CID 18362565) is sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol.
What is the SMILES notation for sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol?
The canonical SMILES for sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol is CCc1c(C)c(Cl)c(O)c(C(C)C)c1C.[Na+].
What is the InChIKey of sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol?
The InChIKey is UDMMZGGHHKWFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO.Na/c1-6-10-8(4)11(7(2)3)13(15)12(14)9(10)5;/h7,15H,6H2,1-5H3;/q;+1.
What are the key properties of sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol?
sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol has a molecular weight of 249.74 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol is sourced from PubChem (CID 18362565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).