3-(12-phenyldodecyl)phenol

C24H34O — CID 14655085

IUPAC3-(12-phenyldodecyl)phenol
SMILESOc1cccc(CCCCCCCCCCCCc2ccccc2)c1
InChIInChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2
InChIKeyOBJCWODHUKKNOI-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.08
Rot. Bonds13

About 3-(12-phenyldodecyl)phenol

3-(12-phenyldodecyl)phenol (PubChem CID 14655085) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-(12-phenyldodecyl)phenol.

Molecular Properties

Compound Name3-(12-phenyldodecyl)phenol
PubChem CID14655085
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name3-(12-phenyldodecyl)phenol
SMILESOc1cccc(CCCCCCCCCCCCc2ccccc2)c1
InChIInChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2
InChIKeyOBJCWODHUKKNOI-UHFFFAOYSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.08
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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Frequently Asked Questions

What is the IUPAC name of 3-(12-phenyldodecyl)phenol?
The IUPAC name of 3-(12-phenyldodecyl)phenol (CID 14655085) is 3-(12-phenyldodecyl)phenol.
What is the SMILES notation for 3-(12-phenyldodecyl)phenol?
The canonical SMILES for 3-(12-phenyldodecyl)phenol is Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1.
What is the InChIKey of 3-(12-phenyldodecyl)phenol?
The InChIKey is OBJCWODHUKKNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2.
What are the key properties of 3-(12-phenyldodecyl)phenol?
3-(12-phenyldodecyl)phenol has a molecular weight of 338.54 g/mol, XLogP of 7.08, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-phenyldodecyl)phenol is sourced from PubChem (CID 14655085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).