1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene

C28H24O — CID 56647690

IUPAC1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
SMILESCC(C)(C)Oc1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C28H24O/c1-28(2,3)29-24-16-8-19(9-17-24)7-10-20-11-12-23-14-13-21-5-4-6-22-15-18-25(20)27(23)26(21)22/h4-18H,1-3H3/b10-7+
InChIKeyTXHAFBPBVHTAPL-JXMROGBWSA-N
MW376.50 g/mol
LogP7.93
Rot. Bonds3

About 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene

1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene (PubChem CID 56647690) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene.

Molecular Properties

Compound Name1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
PubChem CID56647690
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Name1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
SMILESCC(C)(C)Oc1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C28H24O/c1-28(2,3)29-24-16-8-19(9-17-24)7-10-20-11-12-23-14-13-21-5-4-6-22-15-18-25(20)27(23)26(21)22/h4-18H,1-3H3/b10-7+
InChIKeyTXHAFBPBVHTAPL-JXMROGBWSA-N
XLogP7.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-6-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzo[de]isoquinoline-1,3-dione
CID 126641641
1-(4-methoxyphenyl)-N-[(E)-2-pyren-1-ylethenyl]methanimine
CID 102256917
2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde
CID 11460181
3-[(E)-2-pyren-1-ylethenyl]pyridine
CID 176966606
1-[2-(2-chlorophenyl)ethenyl]pyrene
CID 71329845
[[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-λ4-sulfanyl] pyrene-1-sulfonate
CID 87493306
(E)-3-pyren-1-ylprop-2-enal
CID 102183724
N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine
CID 102256918
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
1-[(1E,6E)-7-pyren-1-ylhepta-1,6-dienyl]pyrene
CID 132511526
(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 156772074

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene?
The IUPAC name of 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene (CID 56647690) is 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene.
What is the SMILES notation for 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene?
The canonical SMILES for 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene is CC(C)(C)Oc1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene?
The InChIKey is TXHAFBPBVHTAPL-JXMROGBWSA-N. The full InChI is InChI=1S/C28H24O/c1-28(2,3)29-24-16-8-19(9-17-24)7-10-20-11-12-23-14-13-21-5-4-6-22-15-18-25(20)27(23)26(21)22/h4-18H,1-3H3/b10-7+.
What are the key properties of 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene?
1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene has a molecular weight of 376.50 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene is sourced from PubChem (CID 56647690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).