4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol

C27H36O2 — CID 139760589

IUPAC4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(C)(CCCCCCC)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C27H36O2/c1-5-8-9-10-11-18-27(4,23-14-16-25(28)21(19-23)12-6-2)24-15-17-26(29)22(20-24)13-7-3/h6-7,14-17,19-20,28-29H,2-3,5,8-13,18H2,1,4H3
InChIKeyXEHQUXLZASOVTG-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.22
Rot. Bonds12

About 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol

4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol (PubChem CID 139760589) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
PubChem CID139760589
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(C)(CCCCCCC)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C27H36O2/c1-5-8-9-10-11-18-27(4,23-14-16-25(28)21(19-23)12-6-2)24-15-17-26(29)22(20-24)13-7-3/h6-7,14-17,19-20,28-29H,2-3,5,8-13,18H2,1,4H3
InChIKeyXEHQUXLZASOVTG-UHFFFAOYSA-N
XLogP7.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.22
H-Bond Donors ≤ 52
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

4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
CID 163710554
4-[2-(4-hydroxyphenyl)octan-2-yl]benzene-1,2,3-triol
CID 139838646
2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
CID 139341266
4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
CID 139713899
2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol
CID 57199170
4-(2-phenyloctan-2-yl)phenol
CID 174541966
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
4-[1-(4-hydroxy-3-prop-2-enylphenyl)butyl]-2-prop-2-enylphenol
CID 18178007
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol (CID 139760589) is 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol is C=CCc1cc(C(C)(CCCCCCC)c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol?
The InChIKey is XEHQUXLZASOVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-5-8-9-10-11-18-27(4,23-14-16-25(28)21(19-23)12-6-2)24-15-17-26(29)22(20-24)13-7-3/h6-7,14-17,19-20,28-29H,2-3,5,8-13,18H2,1,4H3.
What are the key properties of 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol?
4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol has a molecular weight of 392.58 g/mol, XLogP of 7.22, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol is sourced from PubChem (CID 139760589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).