benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol

C18H28O4S — CID 161019207

IUPACbenzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol
SMILESO=S(=O)(C1CCC(O)CC1)C1CCC(O)CC1.c1ccccc1
InChIInChI=1S/C12H22O4S.C6H6/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-2-4-6-5-3-1/h9-14H,1-8H2;1-6H
InChIKeyTYDFTBFFYACTSO-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.69
Rot. Bonds2

About benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol

benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol (PubChem CID 161019207) has the molecular formula C18H28O4S and a molecular weight of 340.48 g/mol. Its IUPAC name is benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol.

Molecular Properties

Compound Namebenzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol
PubChem CID161019207
Molecular FormulaC18H28O4S
Molecular Weight340.48 g/mol
Exact Mass340.17
IUPAC Namebenzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol
SMILESO=S(=O)(C1CCC(O)CC1)C1CCC(O)CC1.c1ccccc1
InChIInChI=1S/C12H22O4S.C6H6/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-2-4-6-5-3-1/h9-14H,1-8H2;1-6H
InChIKeyTYDFTBFFYACTSO-UHFFFAOYSA-N
XLogP2.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol?
The IUPAC name of benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol (CID 161019207) is benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol.
What is the SMILES notation for benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol?
The canonical SMILES for benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol is O=S(=O)(C1CCC(O)CC1)C1CCC(O)CC1.c1ccccc1.
What is the InChIKey of benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol?
The InChIKey is TYDFTBFFYACTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4S.C6H6/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-2-4-6-5-3-1/h9-14H,1-8H2;1-6H.
What are the key properties of benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol?
benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol has a molecular weight of 340.48 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-(4-hydroxycyclohexyl)sulfonylcyclohexan-1-ol is sourced from PubChem (CID 161019207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).