2-oct-1-en-3-ylphenol

C14H20O — CID 174457619

IUPAC2-oct-1-en-3-ylphenol
SMILESC=CC(CCCCC)c1ccccc1O
InChIInChI=1S/C14H20O/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15/h4,7-8,10-12,15H,2-3,5-6,9H2,1H3
InChIKeyHMICNNGSXOMFFI-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.24
Rot. Bonds6

About 2-oct-1-en-3-ylphenol

2-oct-1-en-3-ylphenol (PubChem CID 174457619) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-oct-1-en-3-ylphenol.

Molecular Properties

Compound Name2-oct-1-en-3-ylphenol
PubChem CID174457619
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-oct-1-en-3-ylphenol
SMILESC=CC(CCCCC)c1ccccc1O
InChIInChI=1S/C14H20O/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15/h4,7-8,10-12,15H,2-3,5-6,9H2,1H3
InChIKeyHMICNNGSXOMFFI-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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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Related Compounds

2-pentadec-1-en-3-ylphenol
CID 67611246
2-pent-1-en-3-ylphenol
CID 13031544
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
2-pentadecan-6-ylphenol
CID 66865451
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
3-dec-1-en-3-ylphthalic acid
CID 67068934
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(1-phenylnonyl)phenol
CID 67177643
2-(4-propyldecan-5-yl)phenol
CID 66866099
2-(10-octyldocosan-11-yl)phenol
CID 66866246

Frequently Asked Questions

What is the IUPAC name of 2-oct-1-en-3-ylphenol?
The IUPAC name of 2-oct-1-en-3-ylphenol (CID 174457619) is 2-oct-1-en-3-ylphenol.
What is the SMILES notation for 2-oct-1-en-3-ylphenol?
The canonical SMILES for 2-oct-1-en-3-ylphenol is C=CC(CCCCC)c1ccccc1O.
What is the InChIKey of 2-oct-1-en-3-ylphenol?
The InChIKey is HMICNNGSXOMFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15/h4,7-8,10-12,15H,2-3,5-6,9H2,1H3.
What are the key properties of 2-oct-1-en-3-ylphenol?
2-oct-1-en-3-ylphenol has a molecular weight of 204.31 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-en-3-ylphenol is sourced from PubChem (CID 174457619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).