4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol

C30H42O2 — CID 155030696

IUPAC4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1ccc(OCCCCCCCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C30H42O2/c1-4-7-8-9-10-11-12-13-14-15-22-32-30-21-18-25(16-5-2)23-28(30)26-19-20-29(31)27(24-26)17-6-3/h5-6,18-21,23-24,31H,2-4,7-17,22H2,1H3
InChIKeyIXPBJODVLMBAGA-UHFFFAOYSA-N
MW434.66 g/mol
LogP8.82
Rot. Bonds17

About 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol

4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol (PubChem CID 155030696) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
PubChem CID155030696
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1ccc(OCCCCCCCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C30H42O2/c1-4-7-8-9-10-11-12-13-14-15-22-32-30-21-18-25(16-5-2)23-28(30)26-19-20-29(31)27(24-26)17-6-3/h5-6,18-21,23-24,31H,2-4,7-17,22H2,1H3
InChIKeyIXPBJODVLMBAGA-UHFFFAOYSA-N
XLogP8.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.82
H-Bond Donors ≤ 51
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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Related Compounds

bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide
CID 161260000
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 54756875
2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
CID 73334664
[2-(hexylamino)-2-oxoethyl]-[2-[2-[4-[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]ethoxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenoxy]ethyl]-dimethylazanium dibromide
CID 164612806
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 54509125
4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
[2-(dibutylamino)-2-oxoethyl]-[2-[2-[4-[2-[[2-(dibutylamino)-2-oxoethyl]-dimethylazaniumyl]ethoxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenoxy]ethyl]-dimethylazanium
CID 164614938
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
2,3-difluoro-1-[3-fluoro-4-(4-prop-2-enylphenyl)phenyl]-4-heptoxybenzene
CID 20621635
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
4-[2-[8-(16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-21-yl)octoxy]-5-prop-2-enylphenyl]-2-prop-2-enylphenol iodide
CID 162653477

Frequently Asked Questions

What is the IUPAC name of 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
The IUPAC name of 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol (CID 155030696) is 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol.
What is the SMILES notation for 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
The canonical SMILES for 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol is C=CCc1ccc(OCCCCCCCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
The InChIKey is IXPBJODVLMBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-4-7-8-9-10-11-12-13-14-15-22-32-30-21-18-25(16-5-2)23-28(30)26-19-20-29(31)27(24-26)17-6-3/h5-6,18-21,23-24,31H,2-4,7-17,22H2,1H3.
What are the key properties of 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol?
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol has a molecular weight of 434.66 g/mol, XLogP of 8.82, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol is sourced from PubChem (CID 155030696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).