4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol

C24H34O — CID 66867781

IUPAC4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
SMILESCCCCCCCc1c(CC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C24H34O/c1-5-7-8-9-13-16-21-19(6-2)17-18-22(25)23(21)24(3,4)20-14-11-10-12-15-20/h10-12,14-15,17-18,25H,5-9,13,16H2,1-4H3
InChIKeyJARPHXMTUULXDE-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.79
Rot. Bonds9

About 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol

4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol (PubChem CID 66867781) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
PubChem CID66867781
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
SMILESCCCCCCCc1c(CC)ccc(O)c1C(C)(C)c1ccccc1
InChIInChI=1S/C24H34O/c1-5-7-8-9-13-16-21-19(6-2)17-18-22(25)23(21)24(3,4)20-14-11-10-12-15-20/h10-12,14-15,17-18,25H,5-9,13,16H2,1-4H3
InChIKeyJARPHXMTUULXDE-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.79
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 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol (CID 66867781) is 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol is CCCCCCCc1c(CC)ccc(O)c1C(C)(C)c1ccccc1.
What is the InChIKey of 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol?
The InChIKey is JARPHXMTUULXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-5-7-8-9-13-16-21-19(6-2)17-18-22(25)23(21)24(3,4)20-14-11-10-12-15-20/h10-12,14-15,17-18,25H,5-9,13,16H2,1-4H3.
What are the key properties of 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol?
4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol has a molecular weight of 338.54 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 66867781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).