2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol

C22H24O2 — CID 87220567

IUPAC2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol
SMILESOc1ccccc1C1C2CC3CC(C2)CC1(c1ccccc1O)C3
InChIInChI=1S/C22H24O2/c23-19-7-3-1-5-17(19)21-16-10-14-9-15(11-16)13-22(21,12-14)18-6-2-4-8-20(18)24/h1-8,14-16,21,23-24H,9-13H2
InChIKeyXIPSMKGYCCJXBF-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.96
Rot. Bonds2

About 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol

2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol (PubChem CID 87220567) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol
PubChem CID87220567
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol
SMILESOc1ccccc1C1C2CC3CC(C2)CC1(c1ccccc1O)C3
InChIInChI=1S/C22H24O2/c23-19-7-3-1-5-17(19)21-16-10-14-9-15(11-16)13-22(21,12-14)18-6-2-4-8-20(18)24/h1-8,14-16,21,23-24H,9-13H2
InChIKeyXIPSMKGYCCJXBF-UHFFFAOYSA-N
XLogP4.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol?
The IUPAC name of 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol (CID 87220567) is 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol is Oc1ccccc1C1C2CC3CC(C2)CC1(c1ccccc1O)C3.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol?
The InChIKey is XIPSMKGYCCJXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c23-19-7-3-1-5-17(19)21-16-10-14-9-15(11-16)13-22(21,12-14)18-6-2-4-8-20(18)24/h1-8,14-16,21,23-24H,9-13H2.
What are the key properties of 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol?
2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol has a molecular weight of 320.43 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)-2-adamantyl]phenol is sourced from PubChem (CID 87220567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).