[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene

C17H20O2 — CID 143834566

IUPAC[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
SMILESCCO[C@@H](c1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C17H20O2/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h4-13,16-17H,3H2,1-2H3/t16-,17-/m0/s1
InChIKeyKBISQAQCLJQHOT-IRXDYDNUSA-N
MW256.34 g/mol
LogP4.15
Rot. Bonds6

About [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene

[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene (PubChem CID 143834566) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene.

Molecular Properties

Compound Name[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
PubChem CID143834566
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
SMILESCCO[C@@H](c1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C17H20O2/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h4-13,16-17H,3H2,1-2H3/t16-,17-/m0/s1
InChIKeyKBISQAQCLJQHOT-IRXDYDNUSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
2-ethoxy-1,2-diphenylethanol
CID 3767197
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
1-methoxy-1-phenylbutan-2-ol
CID 116756893
(2-ethoxy-1,2-diphenylethyl)hydrazine
CID 105279207
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
1-ethoxy-5-methoxy-1-phenylpentan-2-amine
CID 114857297
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
[2-ethoxy-1-(2-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105279209

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene?
The IUPAC name of [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene (CID 143834566) is [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene.
What is the SMILES notation for [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene?
The canonical SMILES for [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene is CCO[C@@H](c1ccccc1)[C@@H](OC)c1ccccc1.
What is the InChIKey of [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene?
The InChIKey is KBISQAQCLJQHOT-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h4-13,16-17H,3H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene?
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene has a molecular weight of 256.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene is sourced from PubChem (CID 143834566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).