ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone

C17H26O2 — CID 144506588

IUPACethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone
SMILESCC.CC(=O)C1(Cc2ccccc2O)CCCCC1
InChIInChI=1S/C15H20O2.C2H6/c1-12(16)15(9-5-2-6-10-15)11-13-7-3-4-8-14(13)17;1-2/h3-4,7-8,17H,2,5-6,9-11H2,1H3;1-2H3
InChIKeyCODKJOUBCDRKNU-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.50
Rot. Bonds3

About ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone

ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone (PubChem CID 144506588) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone.

Molecular Properties

Compound Nameethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone
PubChem CID144506588
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone
SMILESCC.CC(=O)C1(Cc2ccccc2O)CCCCC1
InChIInChI=1S/C15H20O2.C2H6/c1-12(16)15(9-5-2-6-10-15)11-13-7-3-4-8-14(13)17;1-2/h3-4,7-8,17H,2,5-6,9-11H2,1H3;1-2H3
InChIKeyCODKJOUBCDRKNU-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
CID 105458102
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
2-[(2-ethylpiperidin-2-yl)methyl]phenol
CID 115058890
1-(2-ethylphenyl)cyclohexane-1-carboxamide
CID 70002174
2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
CID 105480737
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
CID 95450370
3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 84727075
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
2-[(4-fluoropiperidin-4-yl)methyl]phenol
CID 105462993
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
CID 175280270

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone?
The IUPAC name of ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone (CID 144506588) is ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone.
What is the SMILES notation for ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone?
The canonical SMILES for ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone is CC.CC(=O)C1(Cc2ccccc2O)CCCCC1.
What is the InChIKey of ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone?
The InChIKey is CODKJOUBCDRKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.C2H6/c1-12(16)15(9-5-2-6-10-15)11-13-7-3-4-8-14(13)17;1-2/h3-4,7-8,17H,2,5-6,9-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone?
ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone has a molecular weight of 262.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone is sourced from PubChem (CID 144506588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).