2-chloro-3,6-dimethylphenol;ethane

C10H15ClO — CID 144511181

IUPAC2-chloro-3,6-dimethylphenol;ethane
SMILESCC.Cc1ccc(C)c(Cl)c1O
InChIInChI=1S/C8H9ClO.C2H6/c1-5-3-4-6(2)8(10)7(5)9;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeyFOGHILQDILCBEX-UHFFFAOYSA-N
MW186.68 g/mol
LogP3.69
Rot. Bonds

About 2-chloro-3,6-dimethylphenol;ethane

2-chloro-3,6-dimethylphenol;ethane (PubChem CID 144511181) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 2-chloro-3,6-dimethylphenol;ethane.

Molecular Properties

Compound Name2-chloro-3,6-dimethylphenol;ethane
PubChem CID144511181
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name2-chloro-3,6-dimethylphenol;ethane
SMILESCC.Cc1ccc(C)c(Cl)c1O
InChIInChI=1S/C8H9ClO.C2H6/c1-5-3-4-6(2)8(10)7(5)9;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeyFOGHILQDILCBEX-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3-[2-(2-chloro-3-hydroxy-4-methylphenyl)propan-2-yl]-6-methylphenol
CID 139749060
2-chloro-3-methylphenol;ethane
CID 171645221
2-(3-chloro-2-hydroxy-4-methylphenyl)-2-oxoacetic acid
CID 117305820
N-(2-chloro-3-hydroxy-4-methylphenyl)acetamide
CID 141015549
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
CID 159078208
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117325926
3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol
CID 83835781
2-(4-chlorophenyl)-3,6-dimethylphenol
CID 102112254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethylphenol;ethane?
The IUPAC name of 2-chloro-3,6-dimethylphenol;ethane (CID 144511181) is 2-chloro-3,6-dimethylphenol;ethane.
What is the SMILES notation for 2-chloro-3,6-dimethylphenol;ethane?
The canonical SMILES for 2-chloro-3,6-dimethylphenol;ethane is CC.Cc1ccc(C)c(Cl)c1O.
What is the InChIKey of 2-chloro-3,6-dimethylphenol;ethane?
The InChIKey is FOGHILQDILCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C2H6/c1-5-3-4-6(2)8(10)7(5)9;1-2/h3-4,10H,1-2H3;1-2H3.
What are the key properties of 2-chloro-3,6-dimethylphenol;ethane?
2-chloro-3,6-dimethylphenol;ethane has a molecular weight of 186.68 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethylphenol;ethane is sourced from PubChem (CID 144511181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).