(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one

C17H22O2 — CID 71427913

IUPAC(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one
SMILESCCO[C@H](C[C@]1(C)C=CC(=O)CC1)c1ccccc1
InChIInChI=1S/C17H22O2/c1-3-19-16(14-7-5-4-6-8-14)13-17(2)11-9-15(18)10-12-17/h4-9,11,16H,3,10,12-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyPSUANTZGZPCHIW-IAGOWNOFSA-N
MW258.36 g/mol
LogP4.08
Rot. Bonds5

About (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one

(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one (PubChem CID 71427913) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one
PubChem CID71427913
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one
SMILESCCO[C@H](C[C@]1(C)C=CC(=O)CC1)c1ccccc1
InChIInChI=1S/C17H22O2/c1-3-19-16(14-7-5-4-6-8-14)13-17(2)11-9-15(18)10-12-17/h4-9,11,16H,3,10,12-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyPSUANTZGZPCHIW-IAGOWNOFSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
CID 66919437
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
2-ethoxy-2-phenylethanethiol
CID 151400804
1,3,3-triethoxypropylbenzene
CID 3754405
1-ethoxy-1-phenylpentan-3-one
CID 3736570
1-ethoxydecylbenzene
CID 71423896
[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
CID 39844404
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
3,3-diethoxy-2-phenylpropanal
CID 174566751
4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
CID 10085673

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one?
The IUPAC name of (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one (CID 71427913) is (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one is CCO[C@H](C[C@]1(C)C=CC(=O)CC1)c1ccccc1.
What is the InChIKey of (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one?
The InChIKey is PSUANTZGZPCHIW-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-19-16(14-7-5-4-6-8-14)13-17(2)11-9-15(18)10-12-17/h4-9,11,16H,3,10,12-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one?
(4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-2-ethoxy-2-phenylethyl]-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 71427913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).