3-butan-2-yl-2-(2-octylphenyl)phenol

C24H34O — CID 67179934

IUPAC3-butan-2-yl-2-(2-octylphenyl)phenol
SMILESCCCCCCCCc1ccccc1-c1c(O)cccc1C(C)CC
InChIInChI=1S/C24H34O/c1-4-6-7-8-9-10-14-20-15-11-12-16-22(20)24-21(19(3)5-2)17-13-18-23(24)25/h11-13,15-19,25H,4-10,14H2,1-3H3
InChIKeyPACXCRVNRUCDII-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.48
Rot. Bonds10

About 3-butan-2-yl-2-(2-octylphenyl)phenol

3-butan-2-yl-2-(2-octylphenyl)phenol (PubChem CID 67179934) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-butan-2-yl-2-(2-octylphenyl)phenol.

Molecular Properties

Compound Name3-butan-2-yl-2-(2-octylphenyl)phenol
PubChem CID67179934
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name3-butan-2-yl-2-(2-octylphenyl)phenol
SMILESCCCCCCCCc1ccccc1-c1c(O)cccc1C(C)CC
InChIInChI=1S/C24H34O/c1-4-6-7-8-9-10-14-20-15-11-12-16-22(20)24-21(19(3)5-2)17-13-18-23(24)25/h11-13,15-19,25H,4-10,14H2,1-3H3
InChIKeyPACXCRVNRUCDII-UHFFFAOYSA-N
XLogP7.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.48
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-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
3-[2-(2-butan-2-yl-6-methylphenyl)phenyl]propan-1-ol
CID 170037206
2-(2-pentylphenyl)phenol
CID 66866892
2,3-bis[2-(2-hexylphenyl)propyl]phenol
CID 67225670
2,3-bis[2-(2-nonylphenyl)propyl]phenol
CID 67225737
2,3-bis[3-(2-octylphenyl)butan-2-yl]phenol
CID 67183715
2-dodecylphenol
CID 160834917
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(2-octylphenyl)phenol?
The IUPAC name of 3-butan-2-yl-2-(2-octylphenyl)phenol (CID 67179934) is 3-butan-2-yl-2-(2-octylphenyl)phenol.
What is the SMILES notation for 3-butan-2-yl-2-(2-octylphenyl)phenol?
The canonical SMILES for 3-butan-2-yl-2-(2-octylphenyl)phenol is CCCCCCCCc1ccccc1-c1c(O)cccc1C(C)CC.
What is the InChIKey of 3-butan-2-yl-2-(2-octylphenyl)phenol?
The InChIKey is PACXCRVNRUCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-4-6-7-8-9-10-14-20-15-11-12-16-22(20)24-21(19(3)5-2)17-13-18-23(24)25/h11-13,15-19,25H,4-10,14H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-(2-octylphenyl)phenol?
3-butan-2-yl-2-(2-octylphenyl)phenol has a molecular weight of 338.54 g/mol, XLogP of 7.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(2-octylphenyl)phenol is sourced from PubChem (CID 67179934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).