4-butyl-3-nonyl-2-phenoxyphenol

C25H36O2 — CID 66867200

IUPAC4-butyl-3-nonyl-2-phenoxyphenol
SMILESCCCCCCCCCc1c(CCCC)ccc(O)c1Oc1ccccc1
InChIInChI=1S/C25H36O2/c1-3-5-7-8-9-10-14-18-23-21(15-6-4-2)19-20-24(26)25(23)27-22-16-12-11-13-17-22/h11-13,16-17,19-20,26H,3-10,14-15,18H2,1-2H3
InChIKeyIYXCARRCLZLUIC-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.82
Rot. Bonds13

About 4-butyl-3-nonyl-2-phenoxyphenol

4-butyl-3-nonyl-2-phenoxyphenol (PubChem CID 66867200) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 4-butyl-3-nonyl-2-phenoxyphenol.

Molecular Properties

Compound Name4-butyl-3-nonyl-2-phenoxyphenol
PubChem CID66867200
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name4-butyl-3-nonyl-2-phenoxyphenol
SMILESCCCCCCCCCc1c(CCCC)ccc(O)c1Oc1ccccc1
InChIInChI=1S/C25H36O2/c1-3-5-7-8-9-10-14-18-23-21(15-6-4-2)19-20-24(26)25(23)27-22-16-12-11-13-17-22/h11-13,16-17,19-20,26H,3-10,14-15,18H2,1-2H3
InChIKeyIYXCARRCLZLUIC-UHFFFAOYSA-N
XLogP7.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-di(nonyl)-2-phenoxyphenol
CID 66867862
4-butyl-3-pentyl-2-phenoxyphenol
CID 66865510
4-hexyl-3-nonyl-2-phenoxyphenol
CID 66865889
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
3,4-diheptyl-2-hexylphenol
CID 66866250
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-nonyl-2-phenoxyphenol?
The IUPAC name of 4-butyl-3-nonyl-2-phenoxyphenol (CID 66867200) is 4-butyl-3-nonyl-2-phenoxyphenol.
What is the SMILES notation for 4-butyl-3-nonyl-2-phenoxyphenol?
The canonical SMILES for 4-butyl-3-nonyl-2-phenoxyphenol is CCCCCCCCCc1c(CCCC)ccc(O)c1Oc1ccccc1.
What is the InChIKey of 4-butyl-3-nonyl-2-phenoxyphenol?
The InChIKey is IYXCARRCLZLUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-3-5-7-8-9-10-14-18-23-21(15-6-4-2)19-20-24(26)25(23)27-22-16-12-11-13-17-22/h11-13,16-17,19-20,26H,3-10,14-15,18H2,1-2H3.
What are the key properties of 4-butyl-3-nonyl-2-phenoxyphenol?
4-butyl-3-nonyl-2-phenoxyphenol has a molecular weight of 368.56 g/mol, XLogP of 7.82, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-nonyl-2-phenoxyphenol is sourced from PubChem (CID 66867200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).