4-heptyl-3-nonyl-2-phenylphenol

C28H42O — CID 66865847

IUPAC4-heptyl-3-nonyl-2-phenylphenol
SMILESCCCCCCCCCc1c(CCCCCCC)ccc(O)c1-c1ccccc1
InChIInChI=1S/C28H42O/c1-3-5-7-9-10-12-17-21-26-24(18-14-11-8-6-4-2)22-23-27(29)28(26)25-19-15-13-16-20-25/h13,15-16,19-20,22-23,29H,3-12,14,17-18,21H2,1-2H3
InChIKeyQDRLXURCGPJNBG-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.87
Rot. Bonds15

About 4-heptyl-3-nonyl-2-phenylphenol

4-heptyl-3-nonyl-2-phenylphenol (PubChem CID 66865847) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 4-heptyl-3-nonyl-2-phenylphenol.

Molecular Properties

Compound Name4-heptyl-3-nonyl-2-phenylphenol
PubChem CID66865847
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name4-heptyl-3-nonyl-2-phenylphenol
SMILESCCCCCCCCCc1c(CCCCCCC)ccc(O)c1-c1ccccc1
InChIInChI=1S/C28H42O/c1-3-5-7-9-10-12-17-21-26-24(18-14-11-8-6-4-2)22-23-27(29)28(26)25-19-15-13-16-20-25/h13,15-16,19-20,22-23,29H,3-12,14,17-18,21H2,1-2H3
InChIKeyQDRLXURCGPJNBG-UHFFFAOYSA-N
XLogP8.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-4-pentyl-2-phenylphenol
CID 66867188
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 87504446
3,4-diheptyl-2-hexylphenol
CID 66866250
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
3-dodecyl-4-hexyl-2-(2-phenylpropan-2-yl)phenol
CID 66866753
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
4-butyl-3-dodecyl-2-(2-phenylpropan-2-yl)phenol
CID 66866156
4-butyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866749
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-3-nonyl-2-phenylphenol?
The IUPAC name of 4-heptyl-3-nonyl-2-phenylphenol (CID 66865847) is 4-heptyl-3-nonyl-2-phenylphenol.
What is the SMILES notation for 4-heptyl-3-nonyl-2-phenylphenol?
The canonical SMILES for 4-heptyl-3-nonyl-2-phenylphenol is CCCCCCCCCc1c(CCCCCCC)ccc(O)c1-c1ccccc1.
What is the InChIKey of 4-heptyl-3-nonyl-2-phenylphenol?
The InChIKey is QDRLXURCGPJNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-3-5-7-9-10-12-17-21-26-24(18-14-11-8-6-4-2)22-23-27(29)28(26)25-19-15-13-16-20-25/h13,15-16,19-20,22-23,29H,3-12,14,17-18,21H2,1-2H3.
What are the key properties of 4-heptyl-3-nonyl-2-phenylphenol?
4-heptyl-3-nonyl-2-phenylphenol has a molecular weight of 394.64 g/mol, XLogP of 8.87, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-3-nonyl-2-phenylphenol is sourced from PubChem (CID 66865847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).