2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol

C27H36O2 — CID 22643834

IUPAC2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1cccc(O)c1C1CCCCC1)c1cccc(O)c1C1CCCCC1
InChIInChI=1S/C27H36O2/c1-27(2,21-15-9-17-23(28)25(21)19-11-5-3-6-12-19)22-16-10-18-24(29)26(22)20-13-7-4-8-14-20/h9-10,15-20,28-29H,3-8,11-14H2,1-2H3
InChIKeyHTXGULZXCALXMZ-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.52
Rot. Bonds4

About 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol

2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 22643834) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
PubChem CID22643834
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1cccc(O)c1C1CCCCC1)c1cccc(O)c1C1CCCCC1
InChIInChI=1S/C27H36O2/c1-27(2,21-15-9-17-23(28)25(21)19-11-5-3-6-12-19)22-16-10-18-24(29)26(22)20-13-7-4-8-14-20/h9-10,15-20,28-29H,3-8,11-14H2,1-2H3
InChIKeyHTXGULZXCALXMZ-UHFFFAOYSA-N
XLogP7.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol (CID 22643834) is 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1cccc(O)c1C1CCCCC1)c1cccc(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is HTXGULZXCALXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-27(2,21-15-9-17-23(28)25(21)19-11-5-3-6-12-19)22-16-10-18-24(29)26(22)20-13-7-4-8-14-20/h9-10,15-20,28-29H,3-8,11-14H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol?
2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 392.58 g/mol, XLogP of 7.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 22643834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).