4-[1-(4-hydroxyphenyl)propyl]phenol;undecane

C26H40O2 — CID 174905836

IUPAC4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
SMILESCCC(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCCCCCC
InChIInChI=1S/C15H16O2.C11H24/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-3-5-7-9-11-10-8-6-4-2/h3-10,15-17H,2H2,1H3;3-11H2,1-2H3
InChIKeyDCGLVGMLOOIVKE-UHFFFAOYSA-N
MW384.60 g/mol
LogP8.18
Rot. Bonds11

About 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane

4-[1-(4-hydroxyphenyl)propyl]phenol;undecane (PubChem CID 174905836) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
PubChem CID174905836
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
SMILESCCC(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCCCCCC
InChIInChI=1S/C15H16O2.C11H24/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-3-5-7-9-11-10-8-6-4-2/h3-10,15-17H,2H2,1H3;3-11H2,1-2H3
InChIKeyDCGLVGMLOOIVKE-UHFFFAOYSA-N
XLogP8.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecan-3-ylphenol
CID 12820022
4-(1-hydroxytridecyl)phenol
CID 57120972
4-hexadecan-7-ylphenol
CID 71320883
4-undecan-6-ylphenol
CID 66867197
dodecane;phenol
CID 157210063
4-(1-aminododecyl)phenol
CID 174770403
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
CID 118174328
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
4-hexan-2-ylphenol
CID 12579179

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane?
The IUPAC name of 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane (CID 174905836) is 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane is CCC(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCCCCCC.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane?
The InChIKey is DCGLVGMLOOIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C11H24/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-3-5-7-9-11-10-8-6-4-2/h3-10,15-17H,2H2,1H3;3-11H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane?
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane has a molecular weight of 384.60 g/mol, XLogP of 8.18, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)propyl]phenol;undecane is sourced from PubChem (CID 174905836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).