5-(2-methylhex-5-en-2-yl)benzene-1,3-diol

C13H18O2 — CID 59984283

IUPAC5-(2-methylhex-5-en-2-yl)benzene-1,3-diol
SMILESC=CCCC(C)(C)c1cc(O)cc(O)c1
InChIInChI=1S/C13H18O2/c1-4-5-6-13(2,3)10-7-11(14)9-12(15)8-10/h4,7-9,14-15H,1,5-6H2,2-3H3
InChIKeyBLFIXUHOFIXBKD-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.34
Rot. Bonds4

About 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol

5-(2-methylhex-5-en-2-yl)benzene-1,3-diol (PubChem CID 59984283) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-methylhex-5-en-2-yl)benzene-1,3-diol
PubChem CID59984283
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(2-methylhex-5-en-2-yl)benzene-1,3-diol
SMILESC=CCCC(C)(C)c1cc(O)cc(O)c1
InChIInChI=1S/C13H18O2/c1-4-5-6-13(2,3)10-7-11(14)9-12(15)8-10/h4,7-9,14-15H,1,5-6H2,2-3H3
InChIKeyBLFIXUHOFIXBKD-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol (CID 59984283) is 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol is C=CCCC(C)(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol?
The InChIKey is BLFIXUHOFIXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-6-13(2,3)10-7-11(14)9-12(15)8-10/h4,7-9,14-15H,1,5-6H2,2-3H3.
What are the key properties of 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol?
5-(2-methylhex-5-en-2-yl)benzene-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylhex-5-en-2-yl)benzene-1,3-diol is sourced from PubChem (CID 59984283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).