2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one

C15H18O2 — CID 175942610

IUPAC2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one
SMILESCCc1ccc(CC2C=C(O)CCC2=O)cc1
InChIInChI=1S/C15H18O2/c1-2-11-3-5-12(6-4-11)9-13-10-14(16)7-8-15(13)17/h3-6,10,13,16H,2,7-9H2,1H3
InChIKeyTTWPDLFEIJMCDR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.21
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one

2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one (PubChem CID 175942610) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one
PubChem CID175942610
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one
SMILESCCc1ccc(CC2C=C(O)CCC2=O)cc1
InChIInChI=1S/C15H18O2/c1-2-11-3-5-12(6-4-11)9-13-10-14(16)7-8-15(13)17/h3-6,10,13,16H,2,7-9H2,1H3
InChIKeyTTWPDLFEIJMCDR-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174317758
1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
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1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
ethane;4-ethylphenol;formaldehyde
CID 131698499
1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
CID 65174957
magnesium;4-ethylphenol;hydride
CID 174425334
sodium;4-ethylphenol;hydroxide
CID 160913882
cyclobutanone;4-ethylaniline
CID 142964401
1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
CID 159812681
1,4-diethylbenzene;ethane;methane
CID 166131756
2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one (CID 175942610) is 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one is CCc1ccc(CC2C=C(O)CCC2=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one?
The InChIKey is TTWPDLFEIJMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-11-3-5-12(6-4-11)9-13-10-14(16)7-8-15(13)17/h3-6,10,13,16H,2,7-9H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one?
2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one is sourced from PubChem (CID 175942610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).