4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane

C30H32O4S — CID 67945027

IUPAC4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
SMILESOc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.S
InChIInChI=1S/C18H20O2.C12H10O2.H2S/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h4-11,19-20H,1-3,12-13H2;1-8,13-14H;1H2
InChIKeyUKPVDGPYLKPJSE-UHFFFAOYSA-N
MW488.65 g/mol
LogP7.23
Rot. Bonds3

About 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane

4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane (PubChem CID 67945027) has the molecular formula C30H32O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
PubChem CID67945027
Molecular FormulaC30H32O4S
Molecular Weight488.65 g/mol
Exact Mass488.20
IUPAC Name4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
SMILESOc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.S
InChIInChI=1S/C18H20O2.C12H10O2.H2S/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h4-11,19-20H,1-3,12-13H2;1-8,13-14H;1H2
InChIKeyUKPVDGPYLKPJSE-UHFFFAOYSA-N
XLogP7.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.65
LogP ≤ 57.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane?
The IUPAC name of 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane (CID 67945027) is 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane is Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.S.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane?
The InChIKey is UKPVDGPYLKPJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.C12H10O2.H2S/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h4-11,19-20H,1-3,12-13H2;1-8,13-14H;1H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane?
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane has a molecular weight of 488.65 g/mol, XLogP of 7.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane is sourced from PubChem (CID 67945027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).