cyclohexanol;1-phenylethanone

C14H20O2 — CID 22467660

IUPACcyclohexanol;1-phenylethanone
SMILESCC(=O)c1ccccc1.OC1CCCCC1
InChIInChI=1S/C8H8O.C6H12O/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6/h2-6H,1H3;6-7H,1-5H2
InChIKeyYCDXNPAEENQLOW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.20
Rot. Bonds1

About cyclohexanol;1-phenylethanone

cyclohexanol;1-phenylethanone (PubChem CID 22467660) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is cyclohexanol;1-phenylethanone.

Molecular Properties

Compound Namecyclohexanol;1-phenylethanone
PubChem CID22467660
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namecyclohexanol;1-phenylethanone
SMILESCC(=O)c1ccccc1.OC1CCCCC1
InChIInChI=1S/C8H8O.C6H12O/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6/h2-6H,1H3;6-7H,1-5H2
InChIKeyYCDXNPAEENQLOW-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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iron;1-phenylethanone
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lithium 1-phenylethanone
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potassium 1-phenylethanone
CID 19980201
1,1'-biphenyl;cyclohexanol
CID 142137438
1-phenylethanone;hydrate;hydrochloride
CID 21258111
CID 173404741
CID 173404741
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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;1-phenylethanone?
The IUPAC name of cyclohexanol;1-phenylethanone (CID 22467660) is cyclohexanol;1-phenylethanone.
What is the SMILES notation for cyclohexanol;1-phenylethanone?
The canonical SMILES for cyclohexanol;1-phenylethanone is CC(=O)c1ccccc1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;1-phenylethanone?
The InChIKey is YCDXNPAEENQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H12O/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6/h2-6H,1H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;1-phenylethanone?
cyclohexanol;1-phenylethanone has a molecular weight of 220.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;1-phenylethanone is sourced from PubChem (CID 22467660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).