2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol

C13H18O — CID 158833372

IUPAC2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol
SMILESC=CCc1cc(C)c(C)cc1CCO
InChIInChI=1S/C13H18O/c1-4-5-12-8-10(2)11(3)9-13(12)6-7-14/h4,8-9,14H,1,5-7H2,2-3H3
InChIKeyIXICLPIMIURNJN-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol

2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol (PubChem CID 158833372) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol
PubChem CID158833372
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol
SMILESC=CCc1cc(C)c(C)cc1CCO
InChIInChI=1S/C13H18O/c1-4-5-12-8-10(2)11(3)9-13(12)6-7-14/h4,8-9,14H,1,5-7H2,2-3H3
InChIKeyIXICLPIMIURNJN-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol?
The IUPAC name of 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol (CID 158833372) is 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol.
What is the SMILES notation for 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol?
The canonical SMILES for 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol is C=CCc1cc(C)c(C)cc1CCO.
What is the InChIKey of 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol?
The InChIKey is IXICLPIMIURNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-5-12-8-10(2)11(3)9-13(12)6-7-14/h4,8-9,14H,1,5-7H2,2-3H3.
What are the key properties of 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol?
2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol is sourced from PubChem (CID 158833372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).