2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol

C26H30O2 — CID 68964957

IUPAC2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
SMILESCCCCC(CC)Cc1cc(-c2ccc(-c3ccc(O)cc3)cc2)ccc1O
InChIInChI=1S/C26H30O2/c1-3-5-6-19(4-2)17-24-18-23(13-16-26(24)28)22-9-7-20(8-10-22)21-11-14-25(27)15-12-21/h7-16,18-19,27-28H,3-6,17H2,1-2H3
InChIKeyQVNUASPBUWKDML-UHFFFAOYSA-N
MW374.52 g/mol
LogP7.19
Rot. Bonds8

About 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol

2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol (PubChem CID 68964957) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
PubChem CID68964957
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
SMILESCCCCC(CC)Cc1cc(-c2ccc(-c3ccc(O)cc3)cc2)ccc1O
InChIInChI=1S/C26H30O2/c1-3-5-6-19(4-2)17-24-18-23(13-16-26(24)28)22-9-7-20(8-10-22)21-11-14-25(27)15-12-21/h7-16,18-19,27-28H,3-6,17H2,1-2H3
InChIKeyQVNUASPBUWKDML-UHFFFAOYSA-N
XLogP7.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol (CID 68964957) is 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol is CCCCC(CC)Cc1cc(-c2ccc(-c3ccc(O)cc3)cc2)ccc1O.
What is the InChIKey of 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol?
The InChIKey is QVNUASPBUWKDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-3-5-6-19(4-2)17-24-18-23(13-16-26(24)28)22-9-7-20(8-10-22)21-11-14-25(27)15-12-21/h7-16,18-19,27-28H,3-6,17H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol?
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol has a molecular weight of 374.52 g/mol, XLogP of 7.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 68964957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).