4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol

C13H18O2 — CID 155552776

IUPAC4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol
SMILESC/C=C/CCCc1cc(C)c(O)cc1O
InChIInChI=1S/C13H18O2/c1-3-4-5-6-7-11-8-10(2)12(14)9-13(11)15/h3-4,8-9,14-15H,5-7H2,1-2H3/b4-3+
InChIKeyOHFLRNRIKPFULG-ONEGZZNKSA-N
MW206.28 g/mol
LogP3.31
Rot. Bonds4

About 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol

4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol (PubChem CID 155552776) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol
PubChem CID155552776
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol
SMILESC/C=C/CCCc1cc(C)c(O)cc1O
InChIInChI=1S/C13H18O2/c1-3-4-5-6-7-11-8-10(2)12(14)9-13(11)15/h3-4,8-9,14-15H,5-7H2,1-2H3/b4-3+
InChIKeyOHFLRNRIKPFULG-ONEGZZNKSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol (CID 155552776) is 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol is C/C=C/CCCc1cc(C)c(O)cc1O.
What is the InChIKey of 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol?
The InChIKey is OHFLRNRIKPFULG-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-5-6-7-11-8-10(2)12(14)9-13(11)15/h3-4,8-9,14-15H,5-7H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol?
4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 155552776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).