4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol

C22H28O2 — CID 68801161

IUPAC4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol
SMILESCc1cc(C2CCC(c3ccc(O)cc3)CC2)cc(C(C)C)c1O
InChIInChI=1S/C22H28O2/c1-14(2)21-13-19(12-15(3)22(21)24)18-6-4-16(5-7-18)17-8-10-20(23)11-9-17/h8-14,16,18,23-24H,4-7H2,1-3H3
InChIKeyUUERYHDIDMERSB-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.97
Rot. Bonds3

About 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol

4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol (PubChem CID 68801161) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol
PubChem CID68801161
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol
SMILESCc1cc(C2CCC(c3ccc(O)cc3)CC2)cc(C(C)C)c1O
InChIInChI=1S/C22H28O2/c1-14(2)21-13-19(12-15(3)22(21)24)18-6-4-16(5-7-18)17-8-10-20(23)11-9-17/h8-14,16,18,23-24H,4-7H2,1-3H3
InChIKeyUUERYHDIDMERSB-UHFFFAOYSA-N
XLogP5.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol (CID 68801161) is 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol is Cc1cc(C2CCC(c3ccc(O)cc3)CC2)cc(C(C)C)c1O.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol?
The InChIKey is UUERYHDIDMERSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-14(2)21-13-19(12-15(3)22(21)24)18-6-4-16(5-7-18)17-8-10-20(23)11-9-17/h8-14,16,18,23-24H,4-7H2,1-3H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol?
4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol has a molecular weight of 324.46 g/mol, XLogP of 5.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 68801161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).