2-(2-dodecylphenyl)-3-nonylphenol

C33H52O — CID 174697962

IUPAC2-(2-dodecylphenyl)-3-nonylphenol
SMILESCCCCCCCCCCCCc1ccccc1-c1c(O)cccc1CCCCCCCCC
InChIInChI=1S/C33H52O/c1-3-5-7-9-11-12-13-15-16-18-23-29-24-20-21-27-31(29)33-30(26-22-28-32(33)34)25-19-17-14-10-8-6-4-2/h20-22,24,26-28,34H,3-19,23,25H2,1-2H3
InChIKeyXBUDKRCTBNEZQX-UHFFFAOYSA-N
MW464.78 g/mol
LogP10.82
Rot. Bonds20

About 2-(2-dodecylphenyl)-3-nonylphenol

2-(2-dodecylphenyl)-3-nonylphenol (PubChem CID 174697962) has the molecular formula C33H52O and a molecular weight of 464.78 g/mol. Its IUPAC name is 2-(2-dodecylphenyl)-3-nonylphenol.

Molecular Properties

Compound Name2-(2-dodecylphenyl)-3-nonylphenol
PubChem CID174697962
Molecular FormulaC33H52O
Molecular Weight464.78 g/mol
Exact Mass464.40
IUPAC Name2-(2-dodecylphenyl)-3-nonylphenol
SMILESCCCCCCCCCCCCc1ccccc1-c1c(O)cccc1CCCCCCCCC
InChIInChI=1S/C33H52O/c1-3-5-7-9-11-12-13-15-16-18-23-29-24-20-21-27-31(29)33-30(26-22-28-32(33)34)25-19-17-14-10-8-6-4-2/h20-22,24,26-28,34H,3-19,23,25H2,1-2H3
InChIKeyXBUDKRCTBNEZQX-UHFFFAOYSA-N
XLogP10.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 510.82
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

3-butan-2-yl-2-(2-octylphenyl)phenol
CID 67179934
2-(2-pentylphenyl)phenol
CID 66866892
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636
ethene;2-nonylphenol
CID 66616289
lithium;2-dodecylphenol;hydride
CID 174657819
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
1-hexyl-2,3-diphenylbenzene
CID 54065322

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylphenyl)-3-nonylphenol?
The IUPAC name of 2-(2-dodecylphenyl)-3-nonylphenol (CID 174697962) is 2-(2-dodecylphenyl)-3-nonylphenol.
What is the SMILES notation for 2-(2-dodecylphenyl)-3-nonylphenol?
The canonical SMILES for 2-(2-dodecylphenyl)-3-nonylphenol is CCCCCCCCCCCCc1ccccc1-c1c(O)cccc1CCCCCCCCC.
What is the InChIKey of 2-(2-dodecylphenyl)-3-nonylphenol?
The InChIKey is XBUDKRCTBNEZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52O/c1-3-5-7-9-11-12-13-15-16-18-23-29-24-20-21-27-31(29)33-30(26-22-28-32(33)34)25-19-17-14-10-8-6-4-2/h20-22,24,26-28,34H,3-19,23,25H2,1-2H3.
What are the key properties of 2-(2-dodecylphenyl)-3-nonylphenol?
2-(2-dodecylphenyl)-3-nonylphenol has a molecular weight of 464.78 g/mol, XLogP of 10.82, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylphenyl)-3-nonylphenol is sourced from PubChem (CID 174697962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).