4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

C19H32O2 — CID 132988122

IUPAC4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESOC1CCC(C2(C3CCC(O)CC3)CC3CCC2C3)CC1
InChIInChI=1S/C19H32O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h13-18,20-21H,1-12H2
InChIKeyKISFKPOMRZJSCY-UHFFFAOYSA-N
MW292.46 g/mol
LogP3.89
Rot. Bonds2

About 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 132988122) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID132988122
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESOC1CCC(C2(C3CCC(O)CC3)CC3CCC2C3)CC1
InChIInChI=1S/C19H32O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h13-18,20-21H,1-12H2
InChIKeyKISFKPOMRZJSCY-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 132988122) is 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is OC1CCC(C2(C3CCC(O)CC3)CC3CCC2C3)CC1.
What is the InChIKey of 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is KISFKPOMRZJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h13-18,20-21H,1-12H2.
What are the key properties of 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol has a molecular weight of 292.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 132988122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).