4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol

C35H40O4 — CID 57252582

IUPAC4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
SMILESOc1ccc(C(CCCCCCCCCC(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C35H40O4/c36-30-18-10-26(11-19-30)34(27-12-20-31(37)21-13-27)8-6-4-2-1-3-5-7-9-35(28-14-22-32(38)23-15-28)29-16-24-33(39)25-17-29/h10-25,34-39H,1-9H2
InChIKeyFNOMEIATPSCBPN-UHFFFAOYSA-N
MW524.70 g/mol
LogP8.98
Rot. Bonds14

About 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol

4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol (PubChem CID 57252582) has the molecular formula C35H40O4 and a molecular weight of 524.70 g/mol. Its IUPAC name is 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol.

Molecular Properties

Compound Name4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
PubChem CID57252582
Molecular FormulaC35H40O4
Molecular Weight524.70 g/mol
Exact Mass524.29
IUPAC Name4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
SMILESOc1ccc(C(CCCCCCCCCC(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C35H40O4/c36-30-18-10-26(11-19-30)34(27-12-20-31(37)21-13-27)8-6-4-2-1-3-5-7-9-35(28-14-22-32(38)23-15-28)29-16-24-33(39)25-17-29/h10-25,34-39H,1-9H2
InChIKeyFNOMEIATPSCBPN-UHFFFAOYSA-N
XLogP8.98
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 58.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
4-(5,5-diphenylpentyl)phenol
CID 66865945
7,7-bis(4-hydroxyphenyl)heptane-1,4-diol
CID 70141145
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
4-(1-hydroxytridecyl)phenol
CID 57120972
4-hexadecan-7-ylphenol
CID 71320883
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
4-(8-hydroxynonan-2-yl)phenol
CID 102003793
2-(1-dodecylsulfanyldodecyl)-4-[1-(4-hydroxyphenyl)dodecyl]phenol
CID 155658154
4-dodecan-3-ylphenol
CID 12820022
2-(8,8-diphenyloctyl)phenol
CID 66867292

Frequently Asked Questions

What is the IUPAC name of 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol?
The IUPAC name of 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol (CID 57252582) is 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol.
What is the SMILES notation for 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol?
The canonical SMILES for 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol is Oc1ccc(C(CCCCCCCCCC(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol?
The InChIKey is FNOMEIATPSCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O4/c36-30-18-10-26(11-19-30)34(27-12-20-31(37)21-13-27)8-6-4-2-1-3-5-7-9-35(28-14-22-32(38)23-15-28)29-16-24-33(39)25-17-29/h10-25,34-39H,1-9H2.
What are the key properties of 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol?
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol has a molecular weight of 524.70 g/mol, XLogP of 8.98, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol is sourced from PubChem (CID 57252582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).