4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol

C30H30O2 — CID 139679162

IUPAC4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
SMILESOc1ccc(CCCCCCc2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C30H30O2/c31-29-19-17-23(21-27(29)25-13-7-3-8-14-25)11-5-1-2-6-12-24-18-20-30(32)28(22-24)26-15-9-4-10-16-26/h3-4,7-10,13-22,31-32H,1-2,5-6,11-12H2
InChIKeyRFNLRXGQTBETDD-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.78
Rot. Bonds9

About 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol

4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol (PubChem CID 139679162) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
PubChem CID139679162
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
SMILESOc1ccc(CCCCCCc2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C30H30O2/c31-29-19-17-23(21-27(29)25-13-7-3-8-14-25)11-5-1-2-6-12-24-18-20-30(32)28(22-24)26-15-9-4-10-16-26/h3-4,7-10,13-22,31-32H,1-2,5-6,11-12H2
InChIKeyRFNLRXGQTBETDD-UHFFFAOYSA-N
XLogP7.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.78
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-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
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-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol?
The IUPAC name of 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol (CID 139679162) is 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol.
What is the SMILES notation for 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol?
The canonical SMILES for 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol is Oc1ccc(CCCCCCc2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol?
The InChIKey is RFNLRXGQTBETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c31-29-19-17-23(21-27(29)25-13-7-3-8-14-25)11-5-1-2-6-12-24-18-20-30(32)28(22-24)26-15-9-4-10-16-26/h3-4,7-10,13-22,31-32H,1-2,5-6,11-12H2.
What are the key properties of 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol?
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol has a molecular weight of 422.57 g/mol, XLogP of 7.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol is sourced from PubChem (CID 139679162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).