4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol

C25H34O2 — CID 22601829

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(C(C)C)CC2)cc(C)c1O
InChIInChI=1S/C25H34O2/c1-15(2)20-7-9-25(10-8-20,21-11-16(3)23(26)17(4)12-21)22-13-18(5)24(27)19(6)14-22/h11-15,20,26-27H,7-10H2,1-6H3
InChIKeyXCYBWDLWVKZUIT-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.46
Rot. Bonds3

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol (PubChem CID 22601829) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol
PubChem CID22601829
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(C(C)C)CC2)cc(C)c1O
InChIInChI=1S/C25H34O2/c1-15(2)20-7-9-25(10-8-20,21-11-16(3)23(26)17(4)12-21)22-13-18(5)24(27)19(6)14-22/h11-15,20,26-27H,7-10H2,1-6H3
InChIKeyXCYBWDLWVKZUIT-UHFFFAOYSA-N
XLogP6.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol (CID 22601829) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol is Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(C(C)C)CC2)cc(C)c1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol?
The InChIKey is XCYBWDLWVKZUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-15(2)20-7-9-25(10-8-20,21-11-16(3)23(26)17(4)12-21)22-13-18(5)24(27)19(6)14-22/h11-15,20,26-27H,7-10H2,1-6H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol has a molecular weight of 366.55 g/mol, XLogP of 6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol is sourced from PubChem (CID 22601829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).