4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol

C22H28O3 — CID 139833112

IUPAC4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol
SMILESCC(C)(C)c1cc(C2(c3ccc(O)cc3O)CCCCC2)ccc1O
InChIInChI=1S/C22H28O3/c1-21(2,3)18-13-15(7-10-19(18)24)22(11-5-4-6-12-22)17-9-8-16(23)14-20(17)25/h7-10,13-14,23-25H,4-6,11-12H2,1-3H3
InChIKeyXGMGELIORXZYJM-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.35
Rot. Bonds2

About 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol

4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol (PubChem CID 139833112) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol
PubChem CID139833112
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol
SMILESCC(C)(C)c1cc(C2(c3ccc(O)cc3O)CCCCC2)ccc1O
InChIInChI=1S/C22H28O3/c1-21(2,3)18-13-15(7-10-19(18)24)22(11-5-4-6-12-22)17-9-8-16(23)14-20(17)25/h7-10,13-14,23-25H,4-6,11-12H2,1-3H3
InChIKeyXGMGELIORXZYJM-UHFFFAOYSA-N
XLogP5.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cycloheptyl]phenol
CID 139824515
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]phenol;carbonic acid
CID 88613916
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxy-3-phenylphenyl)cyclohexyl]-2-phenylphenol
CID 18538283
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536
4-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyl]-2,6-ditert-butylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 88759693
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol
CID 21161611
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxyphenyl)-4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139930954
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159439965

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol (CID 139833112) is 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol is CC(C)(C)c1cc(C2(c3ccc(O)cc3O)CCCCC2)ccc1O.
What is the InChIKey of 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol?
The InChIKey is XGMGELIORXZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-21(2,3)18-13-15(7-10-19(18)24)22(11-5-4-6-12-22)17-9-8-16(23)14-20(17)25/h7-10,13-14,23-25H,4-6,11-12H2,1-3H3.
What are the key properties of 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol?
4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol has a molecular weight of 340.46 g/mol, XLogP of 5.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-tert-butyl-4-hydroxyphenyl)cyclohexyl]benzene-1,3-diol is sourced from PubChem (CID 139833112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).