4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol

C27H30O3 — CID 159025688

IUPAC4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2cccc(O)c2)(c2cccc(O)c2)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C27H30O3/c1-18-14-23(15-19(2)26(18)30)27(20-8-4-3-5-9-20,21-10-6-12-24(28)16-21)22-11-7-13-25(29)17-22/h6-7,10-17,20,28-30H,3-5,8-9H2,1-2H3
InChIKeyJUGDTICDMPYNPO-UHFFFAOYSA-N
MW402.53 g/mol
LogP6.33
Rot. Bonds4

About 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol

4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol (PubChem CID 159025688) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol
PubChem CID159025688
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2cccc(O)c2)(c2cccc(O)c2)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C27H30O3/c1-18-14-23(15-19(2)26(18)30)27(20-8-4-3-5-9-20,21-10-6-12-24(28)16-21)22-11-7-13-25(29)17-22/h6-7,10-17,20,28-30H,3-5,8-9H2,1-2H3
InChIKeyJUGDTICDMPYNPO-UHFFFAOYSA-N
XLogP6.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol (CID 159025688) is 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol is Cc1cc(C(c2cccc(O)c2)(c2cccc(O)c2)C2CCCCC2)cc(C)c1O.
What is the InChIKey of 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol?
The InChIKey is JUGDTICDMPYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3/c1-18-14-23(15-19(2)26(18)30)27(20-8-4-3-5-9-20,21-10-6-12-24(28)16-21)22-11-7-13-25(29)17-22/h6-7,10-17,20,28-30H,3-5,8-9H2,1-2H3.
What are the key properties of 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol?
4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol has a molecular weight of 402.53 g/mol, XLogP of 6.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 159025688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).