4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol

C24H28O2 — CID 118038366

IUPAC4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
SMILESCCC12CC3CC(c4ccc(O)cc4)(C1)CC(c1ccc(O)cc1)(C3)C2
InChIInChI=1S/C24H28O2/c1-2-22-11-17-12-23(14-22,18-3-7-20(25)8-4-18)16-24(13-17,15-22)19-5-9-21(26)10-6-19/h3-10,17,25-26H,2,11-16H2,1H3
InChIKeyTZMFZYOEARKSIB-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.67
Rot. Bonds3

About 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol

4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol (PubChem CID 118038366) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol.

Molecular Properties

Compound Name4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
PubChem CID118038366
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
SMILESCCC12CC3CC(c4ccc(O)cc4)(C1)CC(c1ccc(O)cc1)(C3)C2
InChIInChI=1S/C24H28O2/c1-2-22-11-17-12-23(14-22,18-3-7-20(25)8-4-18)16-24(13-17,15-22)19-5-9-21(26)10-6-19/h3-10,17,25-26H,2,11-16H2,1H3
InChIKeyTZMFZYOEARKSIB-UHFFFAOYSA-N
XLogP5.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-5-phenyl-1-adamantyl)methanamine
CID 142519813
3,5-bis(4-hydroxyphenyl)adamantane-1-carboxylic acid
CID 86098572
4-[3-(4-hydroxy-3-methylphenyl)-5-propyl-1-adamantyl]-2-methylphenol
CID 118338412
[4-[3-(4-cyanato-3-phenylphenyl)-5-ethyl-1-adamantyl]-2-phenylphenyl] cyanate
CID 118338465
1,3,5-triethyladamantane
CID 21415733
[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine
CID 157358034
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
CID 142519943
2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol
CID 118338422
(3R,5R)-N-(6-aminospiro[3.3]heptan-2-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 171762331
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-ethyl-5-phenyl-1-adamantyl]ethanone
CID 157269484
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 137436159
4-(1-ethyl-2,2-difluorocyclopropyl)phenol
CID 151298334

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol?
The IUPAC name of 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol (CID 118038366) is 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol.
What is the SMILES notation for 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol?
The canonical SMILES for 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol is CCC12CC3CC(c4ccc(O)cc4)(C1)CC(c1ccc(O)cc1)(C3)C2.
What is the InChIKey of 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol?
The InChIKey is TZMFZYOEARKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-2-22-11-17-12-23(14-22,18-3-7-20(25)8-4-18)16-24(13-17,15-22)19-5-9-21(26)10-6-19/h3-10,17,25-26H,2,11-16H2,1H3.
What are the key properties of 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol?
4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol has a molecular weight of 348.49 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol is sourced from PubChem (CID 118038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).