3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol

C22H26O2 — CID 22508120

IUPAC3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
SMILESCC(C)(C)c1cc(O)ccc1C1=CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H26O2/c1-22(2,3)21-14-19(24)12-13-20(21)17-6-4-15(5-7-17)16-8-10-18(23)11-9-16/h6,8-15,23-24H,4-5,7H2,1-3H3
InChIKeyVKASKKAQVBRBDT-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.75
Rot. Bonds2

About 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol

3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol (PubChem CID 22508120) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
PubChem CID22508120
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
SMILESCC(C)(C)c1cc(O)ccc1C1=CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H26O2/c1-22(2,3)21-14-19(24)12-13-20(21)17-6-4-15(5-7-17)16-8-10-18(23)11-9-16/h6,8-15,23-24H,4-5,7H2,1-3H3
InChIKeyVKASKKAQVBRBDT-UHFFFAOYSA-N
XLogP5.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The IUPAC name of 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol (CID 22508120) is 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol.
What is the SMILES notation for 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The canonical SMILES for 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol is CC(C)(C)c1cc(O)ccc1C1=CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The InChIKey is VKASKKAQVBRBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-22(2,3)21-14-19(24)12-13-20(21)17-6-4-15(5-7-17)16-8-10-18(23)11-9-16/h6,8-15,23-24H,4-5,7H2,1-3H3.
What are the key properties of 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol has a molecular weight of 322.45 g/mol, XLogP of 5.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol is sourced from PubChem (CID 22508120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).