4-deuterio-2-nonylphenol

C15H24O — CID 175937184

IUPAC4-deuterio-2-nonylphenol
SMILES[2H]c1ccc(O)c(CCCCCCCCC)c1
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3/i9D
InChIKeySNQQPOLDUKLAAF-QOWOAITPSA-N
MW221.36 g/mol
LogP4.69
Rot. Bonds8

About 4-deuterio-2-nonylphenol

4-deuterio-2-nonylphenol (PubChem CID 175937184) has the molecular formula C15H24O and a molecular weight of 221.36 g/mol. Its IUPAC name is 4-deuterio-2-nonylphenol.

Molecular Properties

Compound Name4-deuterio-2-nonylphenol
PubChem CID175937184
Molecular FormulaC15H24O
Molecular Weight221.36 g/mol
Exact Mass221.19
IUPAC Name4-deuterio-2-nonylphenol
SMILES[2H]c1ccc(O)c(CCCCCCCCC)c1
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3/i9D
InChIKeySNQQPOLDUKLAAF-QOWOAITPSA-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 ≤ 500221.36
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

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
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2-nonylphenol?
The IUPAC name of 4-deuterio-2-nonylphenol (CID 175937184) is 4-deuterio-2-nonylphenol.
What is the SMILES notation for 4-deuterio-2-nonylphenol?
The canonical SMILES for 4-deuterio-2-nonylphenol is [2H]c1ccc(O)c(CCCCCCCCC)c1.
What is the InChIKey of 4-deuterio-2-nonylphenol?
The InChIKey is SNQQPOLDUKLAAF-QOWOAITPSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3/i9D.
What are the key properties of 4-deuterio-2-nonylphenol?
4-deuterio-2-nonylphenol has a molecular weight of 221.36 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-deuterio-2-nonylphenol is sourced from PubChem (CID 175937184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).