4,6-dichloro-2-methyl-3-propan-2-ylphenol

C10H12Cl2O — CID 130033448

IUPAC4,6-dichloro-2-methyl-3-propan-2-ylphenol
SMILESCc1c(O)c(Cl)cc(Cl)c1C(C)C
InChIInChI=1S/C10H12Cl2O/c1-5(2)9-6(3)10(13)8(12)4-7(9)11/h4-5,13H,1-3H3
InChIKeyDBGMWINJQBAFDU-UHFFFAOYSA-N
MW219.11 g/mol
LogP4.13
Rot. Bonds1

About 4,6-dichloro-2-methyl-3-propan-2-ylphenol

4,6-dichloro-2-methyl-3-propan-2-ylphenol (PubChem CID 130033448) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-3-propan-2-ylphenol
PubChem CID130033448
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name4,6-dichloro-2-methyl-3-propan-2-ylphenol
SMILESCc1c(O)c(Cl)cc(Cl)c1C(C)C
InChIInChI=1S/C10H12Cl2O/c1-5(2)9-6(3)10(13)8(12)4-7(9)11/h4-5,13H,1-3H3
InChIKeyDBGMWINJQBAFDU-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-5-propan-2-ylbenzene-1,2,3-triol
CID 87849370
2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
CID 139946373
4-chloro-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117306028
4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
CID 167152305
2-chloro-6-propan-2-ylbenzene-1,4-diol
CID 170276425
2,3-bis(hydroxymethyl)-5-methyl-6-propan-2-ylbenzene-1,4-diol
CID 59142069
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420
1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
CID 155737833
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
2-amino-6-chloro-4-propan-2-ylphenol
CID 21209246
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
The IUPAC name of 4,6-dichloro-2-methyl-3-propan-2-ylphenol (CID 130033448) is 4,6-dichloro-2-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
The canonical SMILES for 4,6-dichloro-2-methyl-3-propan-2-ylphenol is Cc1c(O)c(Cl)cc(Cl)c1C(C)C.
What is the InChIKey of 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
The InChIKey is DBGMWINJQBAFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-5(2)9-6(3)10(13)8(12)4-7(9)11/h4-5,13H,1-3H3.
What are the key properties of 4,6-dichloro-2-methyl-3-propan-2-ylphenol?
4,6-dichloro-2-methyl-3-propan-2-ylphenol has a molecular weight of 219.11 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 130033448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).