4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol

C21H26O2 — CID 11034267

IUPAC4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
SMILESCCCC1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H26O2/c1-2-3-16-12-14-21(15-13-16,17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,16,22-23H,2-3,12-15H2,1H3
InChIKeySIDJPCTYGKAAFX-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.37
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol (PubChem CID 11034267) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
PubChem CID11034267
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
SMILESCCCC1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H26O2/c1-2-3-16-12-14-21(15-13-16,17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,16,22-23H,2-3,12-15H2,1H3
InChIKeySIDJPCTYGKAAFX-UHFFFAOYSA-N
XLogP5.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol (CID 11034267) is 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol is CCCC1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol?
The InChIKey is SIDJPCTYGKAAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-2-3-16-12-14-21(15-13-16,17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,16,22-23H,2-3,12-15H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol has a molecular weight of 310.44 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol is sourced from PubChem (CID 11034267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).