benzene-1,4-diol;hept-1-ene

C13H20O2 — CID 158567201

IUPACbenzene-1,4-diol;hept-1-ene
SMILESC=CCCCCC.Oc1ccc(O)cc1
InChIInChI=1S/C7H14.C6H6O2/c1-3-5-7-6-4-2;7-5-1-2-6(8)4-3-5/h3H,1,4-7H2,2H3;1-4,7-8H
InChIKeyHRPYKVWVJXXBMT-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.85
Rot. Bonds4

About benzene-1,4-diol;hept-1-ene

benzene-1,4-diol;hept-1-ene (PubChem CID 158567201) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is benzene-1,4-diol;hept-1-ene.

Molecular Properties

Compound Namebenzene-1,4-diol;hept-1-ene
PubChem CID158567201
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namebenzene-1,4-diol;hept-1-ene
SMILESC=CCCCCC.Oc1ccc(O)cc1
InChIInChI=1S/C7H14.C6H6O2/c1-3-5-7-6-4-2;7-5-1-2-6(8)4-3-5/h3H,1,4-7H2,2H3;1-4,7-8H
InChIKeyHRPYKVWVJXXBMT-UHFFFAOYSA-N
XLogP3.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hept-1-ene;polane
CID 173465915
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
4-tetradec-13-enylphenol
CID 157380665

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;hept-1-ene?
The IUPAC name of benzene-1,4-diol;hept-1-ene (CID 158567201) is benzene-1,4-diol;hept-1-ene.
What is the SMILES notation for benzene-1,4-diol;hept-1-ene?
The canonical SMILES for benzene-1,4-diol;hept-1-ene is C=CCCCCC.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;hept-1-ene?
The InChIKey is HRPYKVWVJXXBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H6O2/c1-3-5-7-6-4-2;7-5-1-2-6(8)4-3-5/h3H,1,4-7H2,2H3;1-4,7-8H.
What are the key properties of benzene-1,4-diol;hept-1-ene?
benzene-1,4-diol;hept-1-ene has a molecular weight of 208.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;hept-1-ene is sourced from PubChem (CID 158567201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).