1-(3,5-dichlorophenyl)-2-methylpropan-1-ol

C10H12Cl2O — CID 63900328

IUPAC1-(3,5-dichlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2O/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6,10,13H,1-2H3
InChIKeyYYSUKKXLINORJZ-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.68
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol

1-(3,5-dichlorophenyl)-2-methylpropan-1-ol (PubChem CID 63900328) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-methylpropan-1-ol
PubChem CID63900328
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1-(3,5-dichlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2O/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6,10,13H,1-2H3
InChIKeyYYSUKKXLINORJZ-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol (CID 63900328) is 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol is CC(C)C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol?
The InChIKey is YYSUKKXLINORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6,10,13H,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol?
1-(3,5-dichlorophenyl)-2-methylpropan-1-ol has a molecular weight of 219.11 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 63900328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).