4-octyl-2,3-bis(prop-1-enyl)phenol

C20H30O — CID 70147182

IUPAC4-octyl-2,3-bis(prop-1-enyl)phenol
SMILESCC=Cc1c(O)ccc(CCCCCCCC)c1C=CC
InChIInChI=1S/C20H30O/c1-4-7-8-9-10-11-14-17-15-16-20(21)19(13-6-3)18(17)12-5-2/h5-6,12-13,15-16,21H,4,7-11,14H2,1-3H3
InChIKeyRGFAJMUYYGPMQU-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.36
Rot. Bonds9

About 4-octyl-2,3-bis(prop-1-enyl)phenol

4-octyl-2,3-bis(prop-1-enyl)phenol (PubChem CID 70147182) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-octyl-2,3-bis(prop-1-enyl)phenol.

Molecular Properties

Compound Name4-octyl-2,3-bis(prop-1-enyl)phenol
PubChem CID70147182
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name4-octyl-2,3-bis(prop-1-enyl)phenol
SMILESCC=Cc1c(O)ccc(CCCCCCCC)c1C=CC
InChIInChI=1S/C20H30O/c1-4-7-8-9-10-11-14-17-15-16-20(21)19(13-6-3)18(17)12-5-2/h5-6,12-13,15-16,21H,4,7-11,14H2,1-3H3
InChIKeyRGFAJMUYYGPMQU-UHFFFAOYSA-N
XLogP6.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-octyl-2-prop-1-enylphenol
CID 70012746
3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2,6-dihydroxy-3-pentylbenzaldehyde
CID 87948627
2-hexyl-6-hydroxybenzaldehyde
CID 19389412
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380
4,5-didecylbenzene-1,2-diol
CID 15667809
2,3-dihexylbenzene-1,4-diol
CID 69329716
2-octylphenol;tungsten
CID 157237523
2,3-difluoro-4-hexylphenol
CID 19910978

Frequently Asked Questions

What is the IUPAC name of 4-octyl-2,3-bis(prop-1-enyl)phenol?
The IUPAC name of 4-octyl-2,3-bis(prop-1-enyl)phenol (CID 70147182) is 4-octyl-2,3-bis(prop-1-enyl)phenol.
What is the SMILES notation for 4-octyl-2,3-bis(prop-1-enyl)phenol?
The canonical SMILES for 4-octyl-2,3-bis(prop-1-enyl)phenol is CC=Cc1c(O)ccc(CCCCCCCC)c1C=CC.
What is the InChIKey of 4-octyl-2,3-bis(prop-1-enyl)phenol?
The InChIKey is RGFAJMUYYGPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-4-7-8-9-10-11-14-17-15-16-20(21)19(13-6-3)18(17)12-5-2/h5-6,12-13,15-16,21H,4,7-11,14H2,1-3H3.
What are the key properties of 4-octyl-2,3-bis(prop-1-enyl)phenol?
4-octyl-2,3-bis(prop-1-enyl)phenol has a molecular weight of 286.46 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-2,3-bis(prop-1-enyl)phenol is sourced from PubChem (CID 70147182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).