4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol

C34H38O2 — CID 150432163

IUPAC4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
SMILESCCCCCCCCC(c1ccc(O)cc1)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C34H38O2/c1-2-3-4-5-6-13-18-33(27-19-23-31(35)24-20-27)34(28-14-9-7-10-15-28,29-16-11-8-12-17-29)30-21-25-32(36)26-22-30/h7-12,14-17,19-26,33,35-36H,2-6,13,18H2,1H3
InChIKeyHJZSXDIZVKRVQM-UHFFFAOYSA-N
MW478.68 g/mol
LogP8.97
Rot. Bonds12

About 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol

4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol (PubChem CID 150432163) has the molecular formula C34H38O2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
PubChem CID150432163
Molecular FormulaC34H38O2
Molecular Weight478.68 g/mol
Exact Mass478.29
IUPAC Name4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
SMILESCCCCCCCCC(c1ccc(O)cc1)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C34H38O2/c1-2-3-4-5-6-13-18-33(27-19-23-31(35)24-20-27)34(28-14-9-7-10-15-28,29-16-11-8-12-17-29)30-21-25-32(36)26-22-30/h7-12,14-17,19-26,33,35-36H,2-6,13,18H2,1H3
InChIKeyHJZSXDIZVKRVQM-UHFFFAOYSA-N
XLogP8.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1,1,1-tris(4-hydroxyphenyl)heptan-2-yl]phenol
CID 19027394
1,1,2-triphenyltetradecan-1-amine
CID 87776795
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
4-(1-hydroxytridecyl)phenol
CID 57120972
4-hexadecan-7-ylphenol
CID 71320883
4-(2-phenyloctan-2-yl)phenol
CID 174541966
1,1,2-triphenyloctoxyboronic acid
CID 70257152
dodecane;phenol
CID 157210063

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol (CID 150432163) is 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol is CCCCCCCCC(c1ccc(O)cc1)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol?
The InChIKey is HJZSXDIZVKRVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O2/c1-2-3-4-5-6-13-18-33(27-19-23-31(35)24-20-27)34(28-14-9-7-10-15-28,29-16-11-8-12-17-29)30-21-25-32(36)26-22-30/h7-12,14-17,19-26,33,35-36H,2-6,13,18H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol?
4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol has a molecular weight of 478.68 g/mol, XLogP of 8.97, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol is sourced from PubChem (CID 150432163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).