4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol

C32H50O2 — CID 172551030

IUPAC4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol
SMILESCCCCCCCCCCCCCC(c1ccc(O)c(CCC)c1)c1ccc(O)c(CCC)c1
InChIInChI=1S/C32H50O2/c1-4-7-8-9-10-11-12-13-14-15-16-19-30(26-20-22-31(33)28(24-26)17-5-2)27-21-23-32(34)29(25-27)18-6-3/h20-25,30,33-34H,4-19H2,1-3H3
InChIKeyWVNUBMVWYABGCB-UHFFFAOYSA-N
MW466.75 g/mol
LogP9.84
Rot. Bonds18

About 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol

4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol (PubChem CID 172551030) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol
PubChem CID172551030
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol
SMILESCCCCCCCCCCCCCC(c1ccc(O)c(CCC)c1)c1ccc(O)c(CCC)c1
InChIInChI=1S/C32H50O2/c1-4-7-8-9-10-11-12-13-14-15-16-19-30(26-20-22-31(33)28(24-26)17-5-2)27-21-23-32(34)29(25-27)18-6-3/h20-25,30,33-34H,4-19H2,1-3H3
InChIKeyWVNUBMVWYABGCB-UHFFFAOYSA-N
XLogP9.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 59.84
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-[1-(4-hydroxy-3-nonylphenyl)nonyl]-2-nonylphenol
CID 135345643
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
CID 139671739
2-(3-butyl-4-hydroxyphenyl)-1-phenyltetradecan-1-one
CID 151181486
4-[bis(4-hydroxy-3-propylphenyl)methyl]benzene-1,2-diol
CID 67315319
4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline
CID 22753054
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
2-tridecylbenzene-1,4-diol
CID 19033717
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
2-(1-dodecylsulfanyldodecyl)-4-[1-(4-hydroxyphenyl)dodecyl]phenol
CID 155658154

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol (CID 172551030) is 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol is CCCCCCCCCCCCCC(c1ccc(O)c(CCC)c1)c1ccc(O)c(CCC)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol?
The InChIKey is WVNUBMVWYABGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-4-7-8-9-10-11-12-13-14-15-16-19-30(26-20-22-31(33)28(24-26)17-5-2)27-21-23-32(34)29(25-27)18-6-3/h20-25,30,33-34H,4-19H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol?
4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol has a molecular weight of 466.75 g/mol, XLogP of 9.84, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol is sourced from PubChem (CID 172551030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).