1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol

C17H20O — CID 62548527

IUPAC1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)c2cccc(C)c2C)c1
InChIInChI=1S/C17H20O/c1-12-7-5-9-15(11-12)17(4,18)16-10-6-8-13(2)14(16)3/h5-11,18H,1-4H3
InChIKeyFALUQGBMZYUKAP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.87
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol

1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol (PubChem CID 62548527) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
PubChem CID62548527
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)c2cccc(C)c2C)c1
InChIInChI=1S/C17H20O/c1-12-7-5-9-15(11-12)17(4,18)16-10-6-8-13(2)14(16)3/h5-11,18H,1-4H3
InChIKeyFALUQGBMZYUKAP-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol (CID 62548527) is 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(C)(O)c2cccc(C)c2C)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol?
The InChIKey is FALUQGBMZYUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-12-7-5-9-15(11-12)17(4,18)16-10-6-8-13(2)14(16)3/h5-11,18H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol?
1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol has a molecular weight of 240.35 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 62548527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).