2,6-bis(1-adamantyl)phenol

C26H34O — CID 14169592

IUPAC2,6-bis(1-adamantyl)phenol
SMILESOc1c(C23CC4CC(CC(C4)C2)C3)cccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34O/c27-24-22(25-10-16-4-17(11-25)6-18(5-16)12-25)2-1-3-23(24)26-13-19-7-20(14-26)9-21(8-19)15-26/h1-3,16-21,27H,4-15H2
InChIKeyRVGLAAAOBCAPHM-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.33
Rot. Bonds2

About 2,6-bis(1-adamantyl)phenol

2,6-bis(1-adamantyl)phenol (PubChem CID 14169592) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2,6-bis(1-adamantyl)phenol.

Molecular Properties

Compound Name2,6-bis(1-adamantyl)phenol
PubChem CID14169592
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name2,6-bis(1-adamantyl)phenol
SMILESOc1c(C23CC4CC(CC(C4)C2)C3)cccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34O/c27-24-22(25-10-16-4-17(11-25)6-18(5-16)12-25)2-1-3-23(24)26-13-19-7-20(14-26)9-21(8-19)15-26/h1-3,16-21,27H,4-15H2
InChIKeyRVGLAAAOBCAPHM-UHFFFAOYSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-6-aminophenol
CID 141137545
4-(1-adamantyl)benzene-1,2,3-triol
CID 59591581
2,6-bis(1-adamantyl)benzoic acid
CID 122626178
2-(1-adamantyl)benzene-1,3-diol
CID 22754692
2,6-bis(1-adamantyl)-4-methylphenol
CID 4686402
2-(1-adamantyl)-N-methylaniline
CID 3963128
3-(1-adamantyl)phthalic acid
CID 141137519
4-(1-adamantyl)-2,3-dihydroxybenzoic acid
CID 122509295
2,4,5-tris(1-adamantyl)benzene-1,3-diol
CID 87124845
2-[3-(1-adamantyl)-2-hydroxyphenyl]naphthalene-1-carboxylic acid
CID 91110592
2,6-bis(1-adamantyl)-4-propan-2-ylphenol
CID 87124603
1-(2-ethenylphenyl)adamantane
CID 57212012

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-adamantyl)phenol?
The IUPAC name of 2,6-bis(1-adamantyl)phenol (CID 14169592) is 2,6-bis(1-adamantyl)phenol.
What is the SMILES notation for 2,6-bis(1-adamantyl)phenol?
The canonical SMILES for 2,6-bis(1-adamantyl)phenol is Oc1c(C23CC4CC(CC(C4)C2)C3)cccc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2,6-bis(1-adamantyl)phenol?
The InChIKey is RVGLAAAOBCAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O/c27-24-22(25-10-16-4-17(11-25)6-18(5-16)12-25)2-1-3-23(24)26-13-19-7-20(14-26)9-21(8-19)15-26/h1-3,16-21,27H,4-15H2.
What are the key properties of 2,6-bis(1-adamantyl)phenol?
2,6-bis(1-adamantyl)phenol has a molecular weight of 362.56 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-adamantyl)phenol is sourced from PubChem (CID 14169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).