4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene

C26H22O2 — CID 134943296

IUPAC4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene
SMILESCC#Cc1cc(OC)ccc1-c1ccc(-c2ccc(OC)cc2C#CC)cc1
InChIInChI=1S/C26H22O2/c1-5-7-21-17-23(27-3)13-15-25(21)19-9-11-20(12-10-19)26-16-14-24(28-4)18-22(26)8-6-2/h9-18H,1-4H3
InChIKeyQBPVUVJQNDFMJM-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.78
Rot. Bonds4

About 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene

4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene (PubChem CID 134943296) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene.

Molecular Properties

Compound Name4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene
PubChem CID134943296
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene
SMILESCC#Cc1cc(OC)ccc1-c1ccc(-c2ccc(OC)cc2C#CC)cc1
InChIInChI=1S/C26H22O2/c1-5-7-21-17-23(27-3)13-15-25(21)19-9-11-20(12-10-19)26-16-14-24(28-4)18-22(26)8-6-2/h9-18H,1-4H3
InChIKeyQBPVUVJQNDFMJM-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene?
The IUPAC name of 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene (CID 134943296) is 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene.
What is the SMILES notation for 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene?
The canonical SMILES for 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene is CC#Cc1cc(OC)ccc1-c1ccc(-c2ccc(OC)cc2C#CC)cc1.
What is the InChIKey of 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene?
The InChIKey is QBPVUVJQNDFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-5-7-21-17-23(27-3)13-15-25(21)19-9-11-20(12-10-19)26-16-14-24(28-4)18-22(26)8-6-2/h9-18H,1-4H3.
What are the key properties of 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene?
4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene has a molecular weight of 366.46 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(4-methoxy-2-prop-1-ynylphenyl)phenyl]-2-prop-1-ynylbenzene is sourced from PubChem (CID 134943296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).