2-[2-(2,3-dipentylphenoxy)propyl]phenol

C25H36O2 — CID 67178036

IUPAC2-[2-(2,3-dipentylphenoxy)propyl]phenol
SMILESCCCCCc1cccc(OC(C)Cc2ccccc2O)c1CCCCC
InChIInChI=1S/C25H36O2/c1-4-6-8-13-21-15-12-18-25(23(21)16-9-7-5-2)27-20(3)19-22-14-10-11-17-24(22)26/h10-12,14-15,17-18,20,26H,4-9,13,16,19H2,1-3H3
InChIKeyPKPQODPBQKRWDM-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.87
Rot. Bonds12

About 2-[2-(2,3-dipentylphenoxy)propyl]phenol

2-[2-(2,3-dipentylphenoxy)propyl]phenol (PubChem CID 67178036) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-[2-(2,3-dipentylphenoxy)propyl]phenol.

Molecular Properties

Compound Name2-[2-(2,3-dipentylphenoxy)propyl]phenol
PubChem CID67178036
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name2-[2-(2,3-dipentylphenoxy)propyl]phenol
SMILESCCCCCc1cccc(OC(C)Cc2ccccc2O)c1CCCCC
InChIInChI=1S/C25H36O2/c1-4-6-8-13-21-15-12-18-25(23(21)16-9-7-5-2)27-20(3)19-22-14-10-11-17-24(22)26/h10-12,14-15,17-18,20,26H,4-9,13,16,19H2,1-3H3
InChIKeyPKPQODPBQKRWDM-UHFFFAOYSA-N
XLogP6.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.87
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

2-[2-(2-nonylphenoxy)propyl]phenol
CID 67180434
3-(2,3-diheptylphenoxy)butane-1-sulfonic acid
CID 101315571
3-(2,3-diheptylphenoxy)butane-2-sulfonic acid
CID 101315619
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
CID 66641444
CID 66641444
sodium 3-(2,3-dipentylphenoxy)butane-2-sulfonate
CID 101315306
2,3-di(nonadecyl)phenol
CID 151687635
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
1-[oxido(disulfido)phosphaniumyl]oxy-2,3-di(undecyl)benzene
CID 101318693
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
2-dodecylphenol
CID 160834917

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dipentylphenoxy)propyl]phenol?
The IUPAC name of 2-[2-(2,3-dipentylphenoxy)propyl]phenol (CID 67178036) is 2-[2-(2,3-dipentylphenoxy)propyl]phenol.
What is the SMILES notation for 2-[2-(2,3-dipentylphenoxy)propyl]phenol?
The canonical SMILES for 2-[2-(2,3-dipentylphenoxy)propyl]phenol is CCCCCc1cccc(OC(C)Cc2ccccc2O)c1CCCCC.
What is the InChIKey of 2-[2-(2,3-dipentylphenoxy)propyl]phenol?
The InChIKey is PKPQODPBQKRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-4-6-8-13-21-15-12-18-25(23(21)16-9-7-5-2)27-20(3)19-22-14-10-11-17-24(22)26/h10-12,14-15,17-18,20,26H,4-9,13,16,19H2,1-3H3.
What are the key properties of 2-[2-(2,3-dipentylphenoxy)propyl]phenol?
2-[2-(2,3-dipentylphenoxy)propyl]phenol has a molecular weight of 368.56 g/mol, XLogP of 6.87, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dipentylphenoxy)propyl]phenol is sourced from PubChem (CID 67178036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).