1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol

C16H16Cl2O — CID 63407186

IUPAC1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-10-7-8-11(2)13(9-10)16(3,19)12-5-4-6-14(17)15(12)18/h4-9,19H,1-3H3
InChIKeyVUUZLMWWCXVNDP-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.87
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol

1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol (PubChem CID 63407186) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol
PubChem CID63407186
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H16Cl2O/c1-10-7-8-11(2)13(9-10)16(3,19)12-5-4-6-14(17)15(12)18/h4-9,19H,1-3H3
InChIKeyVUUZLMWWCXVNDP-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol (CID 63407186) is 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(C(C)(O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol?
The InChIKey is VUUZLMWWCXVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-10-7-8-11(2)13(9-10)16(3,19)12-5-4-6-14(17)15(12)18/h4-9,19H,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol?
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol has a molecular weight of 295.21 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 63407186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).