2-octa-1,3-dienylphenol

C14H18O — CID 54092888

IUPAC2-octa-1,3-dienylphenol
SMILESCCCCC=CC=Cc1ccccc1O
InChIInChI=1S/C14H18O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h5-12,15H,2-4H2,1H3
InChIKeyMVBVVOCVALYDHC-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.15
Rot. Bonds5

About 2-octa-1,3-dienylphenol

2-octa-1,3-dienylphenol (PubChem CID 54092888) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-octa-1,3-dienylphenol.

Molecular Properties

Compound Name2-octa-1,3-dienylphenol
PubChem CID54092888
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-octa-1,3-dienylphenol
SMILESCCCCC=CC=Cc1ccccc1O
InChIInChI=1S/C14H18O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h5-12,15H,2-4H2,1H3
InChIKeyMVBVVOCVALYDHC-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
2-pentadeca-1,3,5-trienylbenzene-1,3-diol
CID 91476848
2-penta-1,3-dienylphenol
CID 141162259
2,3-dihydroxy-6-nona-1,3-dienylbenzaldehyde
CID 162816221
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
3-hexa-1,3-dienylbenzene-1,2-diol
CID 139623398
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
2-hydroxy-6-[(1E,3E)-7-hydroxyundeca-1,3-dienyl]benzaldehyde
CID 171118921
3-hept-1-enyl-2-methylphenol
CID 140713587

Frequently Asked Questions

What is the IUPAC name of 2-octa-1,3-dienylphenol?
The IUPAC name of 2-octa-1,3-dienylphenol (CID 54092888) is 2-octa-1,3-dienylphenol.
What is the SMILES notation for 2-octa-1,3-dienylphenol?
The canonical SMILES for 2-octa-1,3-dienylphenol is CCCCC=CC=Cc1ccccc1O.
What is the InChIKey of 2-octa-1,3-dienylphenol?
The InChIKey is MVBVVOCVALYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h5-12,15H,2-4H2,1H3.
What are the key properties of 2-octa-1,3-dienylphenol?
2-octa-1,3-dienylphenol has a molecular weight of 202.30 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octa-1,3-dienylphenol is sourced from PubChem (CID 54092888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).