1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene

C20H18O2 — CID 5092945

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
SMILESCOc1ccc(C=Cc2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C20H18O2/c1-21-17-12-8-15(9-13-17)7-10-16-11-14-20(22-2)19-6-4-3-5-18(16)19/h3-14H,1-2H3
InChIKeyNHPVXKNNOQNIOG-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.03
Rot. Bonds4

About 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene

1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene (PubChem CID 5092945) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
PubChem CID5092945
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
SMILESCOc1ccc(C=Cc2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C20H18O2/c1-21-17-12-8-15(9-13-17)7-10-16-11-14-20(22-2)19-6-4-3-5-18(16)19/h3-14H,1-2H3
InChIKeyNHPVXKNNOQNIOG-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene (CID 5092945) is 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene is COc1ccc(C=Cc2ccc(OC)c3ccccc23)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
The InChIKey is NHPVXKNNOQNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-21-17-12-8-15(9-13-17)7-10-16-11-14-20(22-2)19-6-4-3-5-18(16)19/h3-14H,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene has a molecular weight of 290.36 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene is sourced from PubChem (CID 5092945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).