2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol

C15H16O2 — CID 57015067

IUPAC2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol
SMILESCc1ccccc1C(C)c1cc(O)ccc1O
InChIInChI=1S/C15H16O2/c1-10-5-3-4-6-13(10)11(2)14-9-12(16)7-8-15(14)17/h3-9,11,16-17H,1-2H3
InChIKeyCFCUSPFPJSMNHG-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.56
Rot. Bonds2

About 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol

2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol (PubChem CID 57015067) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol
PubChem CID57015067
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol
SMILESCc1ccccc1C(C)c1cc(O)ccc1O
InChIInChI=1S/C15H16O2/c1-10-5-3-4-6-13(10)11(2)14-9-12(16)7-8-15(14)17/h3-9,11,16-17H,1-2H3
InChIKeyCFCUSPFPJSMNHG-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol (CID 57015067) is 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol is Cc1ccccc1C(C)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol?
The InChIKey is CFCUSPFPJSMNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-5-3-4-6-13(10)11(2)14-9-12(16)7-8-15(14)17/h3-9,11,16-17H,1-2H3.
What are the key properties of 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol?
2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol has a molecular weight of 228.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol is sourced from PubChem (CID 57015067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).