1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene

C20H20O — CID 162401411

IUPAC1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C\c2ccccc2)C2=CCCC2)cc1
InChIInChI=1S/C20H20O/c1-21-19-13-11-18(12-14-19)20(17-9-5-6-10-17)15-16-7-3-2-4-8-16/h2-4,7-9,11-15H,5-6,10H2,1H3/b20-15-
InChIKeyMDIPRTHISZITLT-HKWRFOASSA-N
MW276.38 g/mol
LogP5.35
Rot. Bonds4

About 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene

1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene (PubChem CID 162401411) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene
PubChem CID162401411
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C\c2ccccc2)C2=CCCC2)cc1
InChIInChI=1S/C20H20O/c1-21-19-13-11-18(12-14-19)20(17-9-5-6-10-17)15-16-7-3-2-4-8-16/h2-4,7-9,11-15H,5-6,10H2,1H3/b20-15-
InChIKeyMDIPRTHISZITLT-HKWRFOASSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene (CID 162401411) is 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene is COc1ccc(/C(=C\c2ccccc2)C2=CCCC2)cc1.
What is the InChIKey of 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene?
The InChIKey is MDIPRTHISZITLT-HKWRFOASSA-N. The full InChI is InChI=1S/C20H20O/c1-21-19-13-11-18(12-14-19)20(17-9-5-6-10-17)15-16-7-3-2-4-8-16/h2-4,7-9,11-15H,5-6,10H2,1H3/b20-15-.
What are the key properties of 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene?
1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene has a molecular weight of 276.38 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene is sourced from PubChem (CID 162401411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).