1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene

C19H22O4 — CID 100938911

IUPAC1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene
SMILESCOc1cccc(OC)c1OC/C=C/COCc1ccccc1
InChIInChI=1S/C19H22O4/c1-20-17-11-8-12-18(21-2)19(17)23-14-7-6-13-22-15-16-9-4-3-5-10-16/h3-12H,13-15H2,1-2H3/b7-6+
InChIKeyQGJRKXIOCZCXJT-VOTSOKGWSA-N
MW314.38 g/mol
LogP3.86
Rot. Bonds9

About 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene

1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene (PubChem CID 100938911) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene
PubChem CID100938911
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene
SMILESCOc1cccc(OC)c1OC/C=C/COCc1ccccc1
InChIInChI=1S/C19H22O4/c1-20-17-11-8-12-18(21-2)19(17)23-14-7-6-13-22-15-16-9-4-3-5-10-16/h3-12H,13-15H2,1-2H3/b7-6+
InChIKeyQGJRKXIOCZCXJT-VOTSOKGWSA-N
XLogP3.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
5-phenylmethoxypent-3-enal
CID 54324259
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 175119653
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene?
The IUPAC name of 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene (CID 100938911) is 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene.
What is the SMILES notation for 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene?
The canonical SMILES for 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene is COc1cccc(OC)c1OC/C=C/COCc1ccccc1.
What is the InChIKey of 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene?
The InChIKey is QGJRKXIOCZCXJT-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H22O4/c1-20-17-11-8-12-18(21-2)19(17)23-14-7-6-13-22-15-16-9-4-3-5-10-16/h3-12H,13-15H2,1-2H3/b7-6+.
What are the key properties of 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene?
1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene has a molecular weight of 314.38 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene is sourced from PubChem (CID 100938911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).