2-hex-5-en-3-yl-4-methylphenol

C13H18O — CID 83922900

IUPAC2-hex-5-en-3-yl-4-methylphenol
SMILESC=CCC(CC)c1cc(C)ccc1O
InChIInChI=1S/C13H18O/c1-4-6-11(5-2)12-9-10(3)7-8-13(12)14/h4,7-9,11,14H,1,5-6H2,2-3H3
InChIKeyMSCKVLXYOSLUAL-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.77
Rot. Bonds4

About 2-hex-5-en-3-yl-4-methylphenol

2-hex-5-en-3-yl-4-methylphenol (PubChem CID 83922900) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-hex-5-en-3-yl-4-methylphenol.

Molecular Properties

Compound Name2-hex-5-en-3-yl-4-methylphenol
PubChem CID83922900
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-hex-5-en-3-yl-4-methylphenol
SMILESC=CCC(CC)c1cc(C)ccc1O
InChIInChI=1S/C13H18O/c1-4-6-11(5-2)12-9-10(3)7-8-13(12)14/h4,7-9,11,14H,1,5-6H2,2-3H3
InChIKeyMSCKVLXYOSLUAL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-en-3-yl-4-methylphenol?
The IUPAC name of 2-hex-5-en-3-yl-4-methylphenol (CID 83922900) is 2-hex-5-en-3-yl-4-methylphenol.
What is the SMILES notation for 2-hex-5-en-3-yl-4-methylphenol?
The canonical SMILES for 2-hex-5-en-3-yl-4-methylphenol is C=CCC(CC)c1cc(C)ccc1O.
What is the InChIKey of 2-hex-5-en-3-yl-4-methylphenol?
The InChIKey is MSCKVLXYOSLUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-6-11(5-2)12-9-10(3)7-8-13(12)14/h4,7-9,11,14H,1,5-6H2,2-3H3.
What are the key properties of 2-hex-5-en-3-yl-4-methylphenol?
2-hex-5-en-3-yl-4-methylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-en-3-yl-4-methylphenol is sourced from PubChem (CID 83922900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).