1-(2,6-dichloro-4-methylphenoxy)propan-2-ol

C10H12Cl2O2 — CID 90679727

IUPAC1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
SMILESCc1cc(Cl)c(OCC(C)O)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-6-3-8(11)10(9(12)4-6)14-5-7(2)13/h3-4,7,13H,5H2,1-2H3
InChIKeyARGLHPOHOYRVME-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.06
Rot. Bonds3

About 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol

1-(2,6-dichloro-4-methylphenoxy)propan-2-ol (PubChem CID 90679727) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
PubChem CID90679727
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
SMILESCc1cc(Cl)c(OCC(C)O)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-6-3-8(11)10(9(12)4-6)14-5-7(2)13/h3-4,7,13H,5H2,1-2H3
InChIKeyARGLHPOHOYRVME-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
CID 129065841
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
2-(2,6-dichloro-4-methylphenoxy)ethanol
CID 21396902
(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol
CID 155700206
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol (CID 90679727) is 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol is Cc1cc(Cl)c(OCC(C)O)c(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol?
The InChIKey is ARGLHPOHOYRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-6-3-8(11)10(9(12)4-6)14-5-7(2)13/h3-4,7,13H,5H2,1-2H3.
What are the key properties of 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol?
1-(2,6-dichloro-4-methylphenoxy)propan-2-ol has a molecular weight of 235.11 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 90679727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).