4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol

C33H36O2 — CID 70422254

IUPAC4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
SMILESOc1ccc(CCCCCCCCCc2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C33H36O2/c34-32-22-20-26(24-30(32)28-16-10-6-11-17-28)14-8-4-2-1-3-5-9-15-27-21-23-33(35)31(25-27)29-18-12-7-13-19-29/h6-7,10-13,16-25,34-35H,1-5,8-9,14-15H2
InChIKeyRLLQAUJCGYRSAC-UHFFFAOYSA-N
MW464.65 g/mol
LogP8.95
Rot. Bonds12

About 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol

4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol (PubChem CID 70422254) has the molecular formula C33H36O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
PubChem CID70422254
Molecular FormulaC33H36O2
Molecular Weight464.65 g/mol
Exact Mass464.27
IUPAC Name4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
SMILESOc1ccc(CCCCCCCCCc2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C33H36O2/c34-32-22-20-26(24-30(32)28-16-10-6-11-17-28)14-8-4-2-1-3-5-9-15-27-21-23-33(35)31(25-27)29-18-12-7-13-19-29/h6-7,10-13,16-25,34-35H,1-5,8-9,14-15H2
InChIKeyRLLQAUJCGYRSAC-UHFFFAOYSA-N
XLogP8.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.95
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-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-pentyl-2-phenylphenol
CID 154147556
4-(3-bromopropyl)-2-phenylphenol
CID 174496150
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
CID 121386312
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
2,5-dibutyl-3-phenylphenol
CID 122215941
2,4-diphenyl-3-(9-phenylnonyl)phenol
CID 175082705
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol (CID 70422254) is 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol is Oc1ccc(CCCCCCCCCc2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol?
The InChIKey is RLLQAUJCGYRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O2/c34-32-22-20-26(24-30(32)28-16-10-6-11-17-28)14-8-4-2-1-3-5-9-15-27-21-23-33(35)31(25-27)29-18-12-7-13-19-29/h6-7,10-13,16-25,34-35H,1-5,8-9,14-15H2.
What are the key properties of 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol?
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol has a molecular weight of 464.65 g/mol, XLogP of 8.95, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol is sourced from PubChem (CID 70422254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).