4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol

C26H40O3 — CID 166687181

IUPAC4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol
SMILESCC1CCC(C2CCC(C(O)OC3CCC(c4ccc(O)cc4)CC3)CC2)CC1
InChIInChI=1S/C26H40O3/c1-18-2-4-19(5-3-18)20-6-8-23(9-7-20)26(28)29-25-16-12-22(13-17-25)21-10-14-24(27)15-11-21/h10-11,14-15,18-20,22-23,25-28H,2-9,12-13,16-17H2,1H3
InChIKeyPOOWTYAJJYTMDG-UHFFFAOYSA-N
MW400.60 g/mol
LogP6.39
Rot. Bonds5

About 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol

4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol (PubChem CID 166687181) has the molecular formula C26H40O3 and a molecular weight of 400.60 g/mol. Its IUPAC name is 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol
PubChem CID166687181
Molecular FormulaC26H40O3
Molecular Weight400.60 g/mol
Exact Mass400.30
IUPAC Name4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol
SMILESCC1CCC(C2CCC(C(O)OC3CCC(c4ccc(O)cc4)CC3)CC2)CC1
InChIInChI=1S/C26H40O3/c1-18-2-4-19(5-3-18)20-6-8-23(9-7-20)26(28)29-25-16-12-22(13-17-25)21-10-14-24(27)15-11-21/h10-11,14-15,18-20,22-23,25-28H,2-9,12-13,16-17H2,1H3
InChIKeyPOOWTYAJJYTMDG-UHFFFAOYSA-N
XLogP6.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
ethane;1-[hydroperoxy-[4-(4-methylcyclohexyl)cyclohexyl]methyl]-4-(4-methylcyclohexyl)benzene;2-[4-[hydroperoxy-[4-(4-methylcyclohexyl)phenyl]methyl]cyclohexyl]-5-methyl-1,3-dioxane
CID 90785194
4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol
CID 139945023
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
4-(3-cyclopentylcyclopentyl)phenol
CID 57025920
4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol
CID 139944971
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;methyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 159746470

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol?
The IUPAC name of 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol (CID 166687181) is 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol?
The canonical SMILES for 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol is CC1CCC(C2CCC(C(O)OC3CCC(c4ccc(O)cc4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol?
The InChIKey is POOWTYAJJYTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O3/c1-18-2-4-19(5-3-18)20-6-8-23(9-7-20)26(28)29-25-16-12-22(13-17-25)21-10-14-24(27)15-11-21/h10-11,14-15,18-20,22-23,25-28H,2-9,12-13,16-17H2,1H3.
What are the key properties of 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol?
4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol has a molecular weight of 400.60 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]phenol is sourced from PubChem (CID 166687181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).