4-[(E)-oct-4-enyl]phenol

C14H20O — CID 11820250

IUPAC4-[(E)-oct-4-enyl]phenol
SMILESCCC/C=C/CCCc1ccc(O)cc1
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h4-5,9-12,15H,2-3,6-8H2,1H3/b5-4+
InChIKeyWHTYMTFJEIRTRO-SNAWJCMRSA-N
MW204.31 g/mol
LogP4.07
Rot. Bonds6

About 4-[(E)-oct-4-enyl]phenol

4-[(E)-oct-4-enyl]phenol (PubChem CID 11820250) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-[(E)-oct-4-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-oct-4-enyl]phenol
PubChem CID11820250
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-[(E)-oct-4-enyl]phenol
SMILESCCC/C=C/CCCc1ccc(O)cc1
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h4-5,9-12,15H,2-3,6-8H2,1H3/b5-4+
InChIKeyWHTYMTFJEIRTRO-SNAWJCMRSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-oct-4-enyl]phenol?
The IUPAC name of 4-[(E)-oct-4-enyl]phenol (CID 11820250) is 4-[(E)-oct-4-enyl]phenol.
What is the SMILES notation for 4-[(E)-oct-4-enyl]phenol?
The canonical SMILES for 4-[(E)-oct-4-enyl]phenol is CCC/C=C/CCCc1ccc(O)cc1.
What is the InChIKey of 4-[(E)-oct-4-enyl]phenol?
The InChIKey is WHTYMTFJEIRTRO-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h4-5,9-12,15H,2-3,6-8H2,1H3/b5-4+.
What are the key properties of 4-[(E)-oct-4-enyl]phenol?
4-[(E)-oct-4-enyl]phenol has a molecular weight of 204.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-oct-4-enyl]phenol is sourced from PubChem (CID 11820250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).