2-[2-(2-hydroxyphenyl)octan-2-yl]phenol

C20H26O2 — CID 22402788

IUPAC2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
SMILESCCCCCCC(C)(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C20H26O2/c1-3-4-5-10-15-20(2,16-11-6-8-13-18(16)21)17-12-7-9-14-19(17)22/h6-9,11-14,21-22H,3-5,10,15H2,1-2H3
InChIKeyJZHFEIFGQNJICL-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.37
Rot. Bonds7

About 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol

2-[2-(2-hydroxyphenyl)octan-2-yl]phenol (PubChem CID 22402788) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
PubChem CID22402788
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
SMILESCCCCCCC(C)(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C20H26O2/c1-3-4-5-10-15-20(2,16-11-6-8-13-18(16)21)17-12-7-9-14-19(17)22/h6-9,11-14,21-22H,3-5,10,15H2,1-2H3
InChIKeyJZHFEIFGQNJICL-UHFFFAOYSA-N
XLogP5.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-[2-(2-decylphenyl)butan-2-yl]phenol
CID 67178533
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
4-(2-phenyloctan-2-yl)phenol
CID 174541966
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
1-(2-anthracen-1-yldecan-2-yl)anthracene
CID 173387096
2-(1,1-diphenoxynonyl)phenol
CID 66866946
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
carbonic acid;2-(2-methylhexan-2-yl)phenol
CID 88685515
2,6-bis(7-aminotridecan-7-yl)phenol
CID 20545732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol?
The IUPAC name of 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol (CID 22402788) is 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol is CCCCCCC(C)(c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol?
The InChIKey is JZHFEIFGQNJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-4-5-10-15-20(2,16-11-6-8-13-18(16)21)17-12-7-9-14-19(17)22/h6-9,11-14,21-22H,3-5,10,15H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol?
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)octan-2-yl]phenol is sourced from PubChem (CID 22402788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).