4,6-bis(2-adamantyl)benzene-1,3-diol

C26H34O2 — CID 22592734

IUPAC4,6-bis(2-adamantyl)benzene-1,3-diol
SMILESOc1cc(O)c(C2C3CC4CC(C3)CC2C4)cc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H34O2/c27-23-12-24(28)22(26-19-7-15-2-16(9-19)10-20(26)8-15)11-21(23)25-17-3-13-1-14(5-17)6-18(25)4-13/h11-20,25-28H,1-10H2
InChIKeyLQXSWVHDHWEEJJ-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.18
Rot. Bonds2

About 4,6-bis(2-adamantyl)benzene-1,3-diol

4,6-bis(2-adamantyl)benzene-1,3-diol (PubChem CID 22592734) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4,6-bis(2-adamantyl)benzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis(2-adamantyl)benzene-1,3-diol
PubChem CID22592734
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name4,6-bis(2-adamantyl)benzene-1,3-diol
SMILESOc1cc(O)c(C2C3CC4CC(C3)CC2C4)cc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H34O2/c27-23-12-24(28)22(26-19-7-15-2-16(9-19)10-20(26)8-15)11-21(23)25-17-3-13-1-14(5-17)6-18(25)4-13/h11-20,25-28H,1-10H2
InChIKeyLQXSWVHDHWEEJJ-UHFFFAOYSA-N
XLogP6.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-bis(2-adamantyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-bis(2-adamantyl)-5-tert-butylbenzene-1,3-diol
CID 162348748
(8R,9S,13S,14S)-2-(2-adamantyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 90900973
6-[3-(2-adamantyl)-4-hydroxyphenyl]-N-hydroxynaphthalene-2-carboxamide
CID 89058674
5,11,17,23-tetrakis(2-adamantyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 101131600
3-[4-[3-(2-adamantyl)-4-hydroxyphenyl]phenyl]but-2-enoic acid
CID 163023786
3-(2-adamantyl)-5-(4-bromophenyl)-2-methoxyphenol
CID 162788802
2-(2,3,4-trifluorophenyl)adamantane
CID 91461256
2-(2-ethynylphenyl)adamantane
CID 19857440
5-(2-adamantyl)-4-formamido-2-hydroxy-3-methylbenzamide
CID 174715207
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
1,3-bis(2-adamantyl)naphthalene-2-carboxylic acid
CID 118566298
2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt
CID 135979167

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-adamantyl)benzene-1,3-diol?
The IUPAC name of 4,6-bis(2-adamantyl)benzene-1,3-diol (CID 22592734) is 4,6-bis(2-adamantyl)benzene-1,3-diol.
What is the SMILES notation for 4,6-bis(2-adamantyl)benzene-1,3-diol?
The canonical SMILES for 4,6-bis(2-adamantyl)benzene-1,3-diol is Oc1cc(O)c(C2C3CC4CC(C3)CC2C4)cc1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4,6-bis(2-adamantyl)benzene-1,3-diol?
The InChIKey is LQXSWVHDHWEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c27-23-12-24(28)22(26-19-7-15-2-16(9-19)10-20(26)8-15)11-21(23)25-17-3-13-1-14(5-17)6-18(25)4-13/h11-20,25-28H,1-10H2.
What are the key properties of 4,6-bis(2-adamantyl)benzene-1,3-diol?
4,6-bis(2-adamantyl)benzene-1,3-diol has a molecular weight of 378.56 g/mol, XLogP of 6.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-adamantyl)benzene-1,3-diol is sourced from PubChem (CID 22592734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).