4-nonylphenol

C15H24O — CID 1752

IUPAC4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
InChIKeyIGFHQQFPSIBGKE-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.69
Rot. Bonds8

About 4-nonylphenol

4-nonylphenol (PubChem CID 1752) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-nonylphenol.

Molecular Properties

Compound Name4-nonylphenol
PubChem CID1752
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
InChIKeyIGFHQQFPSIBGKE-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.69
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

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393

Frequently Asked Questions

What is the IUPAC name of 4-nonylphenol?
The IUPAC name of 4-nonylphenol (CID 1752) is 4-nonylphenol.
What is the SMILES notation for 4-nonylphenol?
The canonical SMILES for 4-nonylphenol is CCCCCCCCCc1ccc(O)cc1.
What is the InChIKey of 4-nonylphenol?
The InChIKey is IGFHQQFPSIBGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3.
What are the key properties of 4-nonylphenol?
4-nonylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylphenol is sourced from PubChem (CID 1752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).