1-(2,4-dimethylphenyl)ethanol

C10H14O — CID 21475

IUPAC1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)O)c(C)c1
InChIInChI=1S/C10H14O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6,9,11H,1-3H3
InChIKeyDNHQUGRUHBFDFT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.36
Rot. Bonds1

About 1-(2,4-dimethylphenyl)ethanol

1-(2,4-dimethylphenyl)ethanol (PubChem CID 21475) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)ethanol
PubChem CID21475
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)O)c(C)c1
InChIInChI=1S/C10H14O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6,9,11H,1-3H3
InChIKeyDNHQUGRUHBFDFT-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)ethanol (CID 21475) is 1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(C)O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)ethanol?
The InChIKey is DNHQUGRUHBFDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6,9,11H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)ethanol?
1-(2,4-dimethylphenyl)ethanol has a molecular weight of 150.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 21475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).