2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol

C28H38O3 — CID 54509125

IUPAC2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2OCCCCCCCCCCO)c1
InChIInChI=1S/C28H38O3/c1-3-13-23-15-17-27(30)25(21-23)26-22-24(14-4-2)16-18-28(26)31-20-12-10-8-6-5-7-9-11-19-29/h3-4,15-18,21-22,29-30H,1-2,5-14,19-20H2
InChIKeyYHVVCJDYNVIXDA-UHFFFAOYSA-N
MW422.61 g/mol
LogP7.01
Rot. Bonds16

About 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol

2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol (PubChem CID 54509125) has the molecular formula C28H38O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
PubChem CID54509125
Molecular FormulaC28H38O3
Molecular Weight422.61 g/mol
Exact Mass422.28
IUPAC Name2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2OCCCCCCCCCCO)c1
InChIInChI=1S/C28H38O3/c1-3-13-23-15-17-27(30)25(21-23)26-22-24(14-4-2)16-18-28(26)31-20-12-10-8-6-5-7-9-11-19-29/h3-4,15-18,21-22,29-30H,1-2,5-14,19-20H2
InChIKeyYHVVCJDYNVIXDA-UHFFFAOYSA-N
XLogP7.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol
CID 5319207
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium
CID 165020471
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propyl-dimethyl-[2-oxo-2-(pentylamino)ethyl]azanium
CID 164617096
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
3-[2-(5-ethenyl-2-hydroxyphenyl)-4-prop-2-enylphenoxy]-1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol
CID 24861536
1-(bromomethyl)-4-ethylcyclohexane;2-[2-[(4-ethylcyclohexyl)methoxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol;dibromide
CID 157050647
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate
CID 155673364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
The IUPAC name of 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol (CID 54509125) is 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol.
What is the SMILES notation for 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
The canonical SMILES for 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OCCCCCCCCCCO)c1.
What is the InChIKey of 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
The InChIKey is YHVVCJDYNVIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O3/c1-3-13-23-15-17-27(30)25(21-23)26-22-24(14-4-2)16-18-28(26)31-20-12-10-8-6-5-7-9-11-19-29/h3-4,15-18,21-22,29-30H,1-2,5-14,19-20H2.
What are the key properties of 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol has a molecular weight of 422.61 g/mol, XLogP of 7.01, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol is sourced from PubChem (CID 54509125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).