1,2-bis(2-methylphenyl)ethanol

C16H18O — CID 60798292

IUPAC1,2-bis(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1ccccc1C
InChIInChI=1S/C16H18O/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-10,16-17H,11H2,1-2H3
InChIKeyXASMZEAMWBNCLN-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.58
Rot. Bonds3

About 1,2-bis(2-methylphenyl)ethanol

1,2-bis(2-methylphenyl)ethanol (PubChem CID 60798292) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,2-bis(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1,2-bis(2-methylphenyl)ethanol
PubChem CID60798292
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1,2-bis(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1ccccc1C
InChIInChI=1S/C16H18O/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-10,16-17H,11H2,1-2H3
InChIKeyXASMZEAMWBNCLN-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethenylphenyl)-1-(2-methylphenyl)ethanol
CID 126495581
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
2-(2-methylphenyl)-1-quinolin-4-ylethanol
CID 63893794
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
CID 114033074
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
1-(2,6-dichlorophenyl)-2-(2-methylphenyl)ethanol
CID 63016225
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 62790475
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylphenyl)ethanol?
The IUPAC name of 1,2-bis(2-methylphenyl)ethanol (CID 60798292) is 1,2-bis(2-methylphenyl)ethanol.
What is the SMILES notation for 1,2-bis(2-methylphenyl)ethanol?
The canonical SMILES for 1,2-bis(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1ccccc1C.
What is the InChIKey of 1,2-bis(2-methylphenyl)ethanol?
The InChIKey is XASMZEAMWBNCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12-7-3-5-9-14(12)11-16(17)15-10-6-4-8-13(15)2/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 1,2-bis(2-methylphenyl)ethanol?
1,2-bis(2-methylphenyl)ethanol has a molecular weight of 226.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylphenyl)ethanol is sourced from PubChem (CID 60798292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).