2-[2-(2-nonylphenoxy)propyl]phenol

C24H34O2 — CID 67180434

IUPAC2-[2-(2-nonylphenoxy)propyl]phenol
SMILESCCCCCCCCCc1ccccc1OC(C)Cc1ccccc1O
InChIInChI=1S/C24H34O2/c1-3-4-5-6-7-8-9-14-21-15-11-13-18-24(21)26-20(2)19-22-16-10-12-17-23(22)25/h10-13,15-18,20,25H,3-9,14,19H2,1-2H3
InChIKeyWKPFEIXTRLTPEX-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.70
Rot. Bonds12

About 2-[2-(2-nonylphenoxy)propyl]phenol

2-[2-(2-nonylphenoxy)propyl]phenol (PubChem CID 67180434) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-[2-(2-nonylphenoxy)propyl]phenol.

Molecular Properties

Compound Name2-[2-(2-nonylphenoxy)propyl]phenol
PubChem CID67180434
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name2-[2-(2-nonylphenoxy)propyl]phenol
SMILESCCCCCCCCCc1ccccc1OC(C)Cc1ccccc1O
InChIInChI=1S/C24H34O2/c1-3-4-5-6-7-8-9-14-21-15-11-13-18-24(21)26-20(2)19-22-16-10-12-17-23(22)25/h10-13,15-18,20,25H,3-9,14,19H2,1-2H3
InChIKeyWKPFEIXTRLTPEX-UHFFFAOYSA-N
XLogP6.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.70
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-(2,3-dipentylphenoxy)propyl]phenol
CID 67178036
1-(2-dodecylphenoxy)ethanol
CID 175113805
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
CID 158822099
CID 158822099
1-(2-icosylphenoxy)ethyl dihydrogen phosphate
CID 122612545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nonylphenoxy)propyl]phenol?
The IUPAC name of 2-[2-(2-nonylphenoxy)propyl]phenol (CID 67180434) is 2-[2-(2-nonylphenoxy)propyl]phenol.
What is the SMILES notation for 2-[2-(2-nonylphenoxy)propyl]phenol?
The canonical SMILES for 2-[2-(2-nonylphenoxy)propyl]phenol is CCCCCCCCCc1ccccc1OC(C)Cc1ccccc1O.
What is the InChIKey of 2-[2-(2-nonylphenoxy)propyl]phenol?
The InChIKey is WKPFEIXTRLTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-3-4-5-6-7-8-9-14-21-15-11-13-18-24(21)26-20(2)19-22-16-10-12-17-23(22)25/h10-13,15-18,20,25H,3-9,14,19H2,1-2H3.
What are the key properties of 2-[2-(2-nonylphenoxy)propyl]phenol?
2-[2-(2-nonylphenoxy)propyl]phenol has a molecular weight of 354.53 g/mol, XLogP of 6.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nonylphenoxy)propyl]phenol is sourced from PubChem (CID 67180434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).