[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene

C20H26O2 — CID 10983775

IUPAC[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
SMILESCCCO[C@H](c1ccccc1)[C@H](OCCC)c1ccccc1
InChIInChI=1S/C20H26O2/c1-3-15-21-19(17-11-7-5-8-12-17)20(22-16-4-2)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyBXHHMKAVBWMNDQ-WOJBJXKFSA-N
MW298.43 g/mol
LogP5.32
Rot. Bonds9

About [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene

[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene (PubChem CID 10983775) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
PubChem CID10983775
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
SMILESCCCO[C@H](c1ccccc1)[C@H](OCCC)c1ccccc1
InChIInChI=1S/C20H26O2/c1-3-15-21-19(17-11-7-5-8-12-17)20(22-16-4-2)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyBXHHMKAVBWMNDQ-WOJBJXKFSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
CID 10717396
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303
[phenyl(propoxy)methyl] formate
CID 54315137
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-pentoxypropylbenzene
CID 57033372
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
CID 124500369

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene?
The IUPAC name of [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene (CID 10983775) is [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene.
What is the SMILES notation for [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene?
The canonical SMILES for [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene is CCCO[C@H](c1ccccc1)[C@H](OCCC)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene?
The InChIKey is BXHHMKAVBWMNDQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-15-21-19(17-11-7-5-8-12-17)20(22-16-4-2)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene?
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene has a molecular weight of 298.43 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene is sourced from PubChem (CID 10983775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).