dodecylbenzene;phenol

C24H36O — CID 159734519

IUPACdodecylbenzene;phenol
SMILESCCCCCCCCCCCCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C18H30.C6H6O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;7-6-4-2-1-3-5-6/h11,13-14,16-17H,2-10,12,15H2,1H3;1-5,7H
InChIKeyNBQXGMPEPJOSAF-UHFFFAOYSA-N
MW340.55 g/mol
LogP7.54
Rot. Bonds11

About dodecylbenzene;phenol

dodecylbenzene;phenol (PubChem CID 159734519) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is dodecylbenzene;phenol.

Molecular Properties

Compound Namedodecylbenzene;phenol
PubChem CID159734519
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Namedodecylbenzene;phenol
SMILESCCCCCCCCCCCCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C18H30.C6H6O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;7-6-4-2-1-3-5-6/h11,13-14,16-17H,2-10,12,15H2,1H3;1-5,7H
InChIKeyNBQXGMPEPJOSAF-UHFFFAOYSA-N
XLogP7.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 57.54
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

hexylbenzene;hydrogen peroxide
CID 90001206
hexylbenzene;pentan-3-one;phenol
CID 161093269
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
azane;tetradecylbenzene
CID 70503489
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
dodecane;phenol
CID 157210063
CID 70103153
CID 70103153

Frequently Asked Questions

What is the IUPAC name of dodecylbenzene;phenol?
The IUPAC name of dodecylbenzene;phenol (CID 159734519) is dodecylbenzene;phenol.
What is the SMILES notation for dodecylbenzene;phenol?
The canonical SMILES for dodecylbenzene;phenol is CCCCCCCCCCCCc1ccccc1.Oc1ccccc1.
What is the InChIKey of dodecylbenzene;phenol?
The InChIKey is NBQXGMPEPJOSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C6H6O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;7-6-4-2-1-3-5-6/h11,13-14,16-17H,2-10,12,15H2,1H3;1-5,7H.
What are the key properties of dodecylbenzene;phenol?
dodecylbenzene;phenol has a molecular weight of 340.55 g/mol, XLogP of 7.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylbenzene;phenol is sourced from PubChem (CID 159734519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).