3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol

C18H23ClO2 — CID 70144802

IUPAC3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol
SMILESCc1cc(O)ccc1C(C)C.Cc1ccc(Cl)c(C)c1O
InChIInChI=1S/C10H14O.C8H9ClO/c1-7(2)10-5-4-9(11)6-8(10)3;1-5-3-4-7(9)6(2)8(5)10/h4-7,11H,1-3H3;3-4,10H,1-2H3
InChIKeyGOZIJXJXIVVFEJ-UHFFFAOYSA-N
MW306.83 g/mol
LogP5.49
Rot. Bonds1

About 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol

3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol (PubChem CID 70144802) has the molecular formula C18H23ClO2 and a molecular weight of 306.83 g/mol. Its IUPAC name is 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol
PubChem CID70144802
Molecular FormulaC18H23ClO2
Molecular Weight306.83 g/mol
Exact Mass306.14
IUPAC Name3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol
SMILESCc1cc(O)ccc1C(C)C.Cc1ccc(Cl)c(C)c1O
InChIInChI=1S/C10H14O.C8H9ClO/c1-7(2)10-5-4-9(11)6-8(10)3;1-5-3-4-7(9)6(2)8(5)10/h4-7,11H,1-3H3;3-4,10H,1-2H3
InChIKeyGOZIJXJXIVVFEJ-UHFFFAOYSA-N
XLogP5.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.83
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 67130957
CID 67130957
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CID 175483234
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
CID 70978775
3-chloro-4-methylphenol
CID 14853
6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol
CID 130656193
2,6-dichloro-3-propan-2-ylphenol
CID 174112447
4-[chloro(methylsulfanyl)methyl]-3-methylphenol
CID 90471845
4-butan-2-yl-3-methylphenol
CID 21413615
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
CID 130135122
4-chloro-3-methylphenol;4-chlorophenol
CID 70419775
benzene-1,2-diol;4-chloro-3-methylphenol
CID 67381878

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol?
The IUPAC name of 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol (CID 70144802) is 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol?
The canonical SMILES for 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol is Cc1cc(O)ccc1C(C)C.Cc1ccc(Cl)c(C)c1O.
What is the InChIKey of 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol?
The InChIKey is GOZIJXJXIVVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H9ClO/c1-7(2)10-5-4-9(11)6-8(10)3;1-5-3-4-7(9)6(2)8(5)10/h4-7,11H,1-3H3;3-4,10H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol?
3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol has a molecular weight of 306.83 g/mol, XLogP of 5.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 70144802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).