3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one

C16H20O2 — CID 44725204

IUPAC3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one
SMILESCC(C)COC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C16H20O2/c1-12(2)11-18-16-9-14(8-15(17)10-16)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3
InChIKeyIFIFXDSSIJSHFM-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.69
Rot. Bonds4

About 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one

3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one (PubChem CID 44725204) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one
PubChem CID44725204
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one
SMILESCC(C)COC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C16H20O2/c1-12(2)11-18-16-9-14(8-15(17)10-16)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3
InChIKeyIFIFXDSSIJSHFM-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one
CID 23825460
methyl 2-[(5S)-3-oxo-5-phenylcyclohexen-1-yl]acetate
CID 129404051
(5R)-3-[6-[[(5S)-3-oxo-5-phenylcyclohexen-1-yl]amino]hexylamino]-5-phenylcyclohex-2-en-1-one
CID 99641197
(5R)-3-(2-ethoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 869711
(3-oxo-5-phenylcyclohexen-1-yl) 6-phenoxypyridine-3-carboxylate
CID 175518737
5-phenyl-3-(pyridin-4-ylmethylamino)cyclohex-2-en-1-one
CID 2884499
[5-(4-methylphenyl)-3-oxocyclohexen-1-yl] acetate
CID 2739730
3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
CID 13109896
(3-propan-2-yloxycyclopent-3-en-1-yl)benzene
CID 21447464
tert-butyl N-[[(5R)-3-oxo-5-phenylcyclohexen-1-yl]amino]carbamate
CID 878364
(5S)-3-methyl-5-(3-phenoxyphenyl)cyclohex-2-en-1-one
CID 139074788
(5S)-3-[(4-methylpiperazin-1-yl)amino]-5-phenylcyclohex-2-en-1-one
CID 7279343

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one (CID 44725204) is 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one is CC(C)COC1=CC(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one?
The InChIKey is IFIFXDSSIJSHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12(2)11-18-16-9-14(8-15(17)10-16)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one?
3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 44725204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).