2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol

C15H20O2 — CID 59639012

IUPAC2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol
SMILESCC(C)=CCC=C(C)c1cc(O)c(C)cc1O
InChIInChI=1S/C15H20O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6-9,16-17H,5H2,1-4H3
InChIKeyHJXOFPBIYIVRSC-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.17
Rot. Bonds3

About 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol

2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol (PubChem CID 59639012) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol
PubChem CID59639012
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol
SMILESCC(C)=CCC=C(C)c1cc(O)c(C)cc1O
InChIInChI=1S/C15H20O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6-9,16-17H,5H2,1-4H3
InChIKeyHJXOFPBIYIVRSC-UHFFFAOYSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol?
The IUPAC name of 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol (CID 59639012) is 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol is CC(C)=CCC=C(C)c1cc(O)c(C)cc1O.
What is the InChIKey of 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol?
The InChIKey is HJXOFPBIYIVRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6-9,16-17H,5H2,1-4H3.
What are the key properties of 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol?
2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol has a molecular weight of 232.32 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methylhepta-2,5-dien-2-yl)benzene-1,4-diol is sourced from PubChem (CID 59639012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).