cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone

C26H34O3 — CID 19912732

IUPACcyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone
SMILESC1CCC(OC2CCCCC2)CC1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C12H22O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13,15H;11-12H,1-10H2
InChIKeyUBPWQXYHRHNLQY-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.27
Rot. Bonds5

About cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone

cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone (PubChem CID 19912732) has the molecular formula C26H34O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Namecyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone
PubChem CID19912732
Molecular FormulaC26H34O3
Molecular Weight394.56 g/mol
Exact Mass394.25
IUPAC Namecyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone
SMILESC1CCC(OC2CCCCC2)CC1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C12H22O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13,15H;11-12H,1-10H2
InChIKeyUBPWQXYHRHNLQY-UHFFFAOYSA-N
XLogP6.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone?
The IUPAC name of cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone (CID 19912732) is cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone is C1CCC(OC2CCCCC2)CC1.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone?
The InChIKey is UBPWQXYHRHNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C12H22O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13,15H;11-12H,1-10H2.
What are the key properties of cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone?
cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone has a molecular weight of 394.56 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycyclohexane;2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 19912732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).