1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene

C20H24O3 — CID 174594845

IUPAC1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene
SMILESCOc1cc(/C=C/COc2ccccc2)cc(OC)c1C(C)C
InChIInChI=1S/C20H24O3/c1-15(2)20-18(21-3)13-16(14-19(20)22-4)9-8-12-23-17-10-6-5-7-11-17/h5-11,13-15H,12H2,1-4H3/b9-8+
InChIKeyORADARYDKOYIFF-CMDGGOBGSA-N
MW312.41 g/mol
LogP4.92
Rot. Bonds7

About 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene

1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene (PubChem CID 174594845) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene
PubChem CID174594845
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene
SMILESCOc1cc(/C=C/COc2ccccc2)cc(OC)c1C(C)C
InChIInChI=1S/C20H24O3/c1-15(2)20-18(21-3)13-16(14-19(20)22-4)9-8-12-23-17-10-6-5-7-11-17/h5-11,13-15H,12H2,1-4H3/b9-8+
InChIKeyORADARYDKOYIFF-CMDGGOBGSA-N
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene (CID 174594845) is 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene is COc1cc(/C=C/COc2ccccc2)cc(OC)c1C(C)C.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene?
The InChIKey is ORADARYDKOYIFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H24O3/c1-15(2)20-18(21-3)13-16(14-19(20)22-4)9-8-12-23-17-10-6-5-7-11-17/h5-11,13-15H,12H2,1-4H3/b9-8+.
What are the key properties of 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene?
1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene has a molecular weight of 312.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(E)-3-phenoxyprop-1-enyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 174594845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).