1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one

C15H24O2 — CID 161232949

IUPAC1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one
SMILESCC(C)=O.OC1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H18O.C3H6O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-3(2)4/h2,5-6,9,11,13H,1,3-4,7-8,10H2;1-2H3
InChIKeyUYZNDWPPTZOFIB-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.41
Rot. Bonds1

About 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one

1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one (PubChem CID 161232949) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one.

Molecular Properties

Compound Name1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one
PubChem CID161232949
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one
SMILESCC(C)=O.OC1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H18O.C3H6O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-3(2)4/h2,5-6,9,11,13H,1,3-4,7-8,10H2;1-2H3
InChIKeyUYZNDWPPTZOFIB-UHFFFAOYSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one?
The IUPAC name of 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one (CID 161232949) is 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one.
What is the SMILES notation for 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one?
The canonical SMILES for 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one is CC(C)=O.OC1(C2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one?
The InChIKey is UYZNDWPPTZOFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C3H6O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;1-3(2)4/h2,5-6,9,11,13H,1,3-4,7-8,10H2;1-2H3.
What are the key properties of 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one?
1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one is sourced from PubChem (CID 161232949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).