ethane;4-hydroxy-4-phenylcyclohexan-1-one

C14H20O2 — CID 91155635

IUPACethane;4-hydroxy-4-phenylcyclohexan-1-one
SMILESCC.O=C1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H14O2.C2H6/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10;1-2/h1-5,14H,6-9H2;1-2H3
InChIKeyWFHKEDBXKXEMSU-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds1

About ethane;4-hydroxy-4-phenylcyclohexan-1-one

ethane;4-hydroxy-4-phenylcyclohexan-1-one (PubChem CID 91155635) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethane;4-hydroxy-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Nameethane;4-hydroxy-4-phenylcyclohexan-1-one
PubChem CID91155635
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethane;4-hydroxy-4-phenylcyclohexan-1-one
SMILESCC.O=C1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H14O2.C2H6/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10;1-2/h1-5,14H,6-9H2;1-2H3
InChIKeyWFHKEDBXKXEMSU-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144640846
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CID 71029419
azane;1-phenylcyclobutan-1-ol
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4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
copper;1-phenylcyclohexan-1-ol
CID 174727157
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
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CID 91262908
ethane;4-hydroxy-4-(1-tritylimidazol-4-yl)cyclohexan-1-one
CID 142006545
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501
acetic acid;guanidine;1-phenylcyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-4-phenylcyclohexan-1-one?
The IUPAC name of ethane;4-hydroxy-4-phenylcyclohexan-1-one (CID 91155635) is ethane;4-hydroxy-4-phenylcyclohexan-1-one.
What is the SMILES notation for ethane;4-hydroxy-4-phenylcyclohexan-1-one?
The canonical SMILES for ethane;4-hydroxy-4-phenylcyclohexan-1-one is CC.O=C1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of ethane;4-hydroxy-4-phenylcyclohexan-1-one?
The InChIKey is WFHKEDBXKXEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C2H6/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10;1-2/h1-5,14H,6-9H2;1-2H3.
What are the key properties of ethane;4-hydroxy-4-phenylcyclohexan-1-one?
ethane;4-hydroxy-4-phenylcyclohexan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-4-phenylcyclohexan-1-one is sourced from PubChem (CID 91155635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).