4-(2-phenyloctan-2-yl)phenol

C20H26O — CID 174541966

IUPAC4-(2-phenyloctan-2-yl)phenol
SMILESCCCCCCC(C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H26O/c1-3-4-5-9-16-20(2,17-10-7-6-8-11-17)18-12-14-19(21)15-13-18/h6-8,10-15,21H,3-5,9,16H2,1-2H3
InChIKeyFNPQEOBPOKQRAI-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.67
Rot. Bonds7

About 4-(2-phenyloctan-2-yl)phenol

4-(2-phenyloctan-2-yl)phenol (PubChem CID 174541966) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(2-phenyloctan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyloctan-2-yl)phenol
PubChem CID174541966
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-(2-phenyloctan-2-yl)phenol
SMILESCCCCCCC(C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H26O/c1-3-4-5-9-16-20(2,17-10-7-6-8-11-17)18-12-14-19(21)15-13-18/h6-8,10-15,21H,3-5,9,16H2,1-2H3
InChIKeyFNPQEOBPOKQRAI-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.67
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-diphenyltridecan-7-one
CID 91284823
4-[2-(4-hydroxyphenyl)octan-2-yl]benzene-1,2,3-triol
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4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
dodecane;phenol
CID 157210063
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240
[8-(1-pentylcyclohexyl)-2-phenyloctan-2-yl]benzene
CID 57111746

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyloctan-2-yl)phenol?
The IUPAC name of 4-(2-phenyloctan-2-yl)phenol (CID 174541966) is 4-(2-phenyloctan-2-yl)phenol.
What is the SMILES notation for 4-(2-phenyloctan-2-yl)phenol?
The canonical SMILES for 4-(2-phenyloctan-2-yl)phenol is CCCCCCC(C)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-(2-phenyloctan-2-yl)phenol?
The InChIKey is FNPQEOBPOKQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-4-5-9-16-20(2,17-10-7-6-8-11-17)18-12-14-19(21)15-13-18/h6-8,10-15,21H,3-5,9,16H2,1-2H3.
What are the key properties of 4-(2-phenyloctan-2-yl)phenol?
4-(2-phenyloctan-2-yl)phenol has a molecular weight of 282.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyloctan-2-yl)phenol is sourced from PubChem (CID 174541966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).