4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one

C15H26O2 — CID 11020973

IUPAC4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one
SMILESCC(C)(C1CCC(=O)CC1)C1CCC(O)CC1
InChIInChI=1S/C15H26O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-13,16H,3-10H2,1-2H3
InChIKeyVXOIZCXQZJOEMS-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.32
Rot. Bonds2

About 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one

4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one (PubChem CID 11020973) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one
PubChem CID11020973
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one
SMILESCC(C)(C1CCC(=O)CC1)C1CCC(O)CC1
InChIInChI=1S/C15H26O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-13,16H,3-10H2,1-2H3
InChIKeyVXOIZCXQZJOEMS-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one?
The IUPAC name of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one (CID 11020973) is 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one is CC(C)(C1CCC(=O)CC1)C1CCC(O)CC1.
What is the InChIKey of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one?
The InChIKey is VXOIZCXQZJOEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one?
4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 11020973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).