1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane

C26H30O2 — CID 72962310

IUPAC1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane
SMILESCOc1ccc(CC=C2C3CC4CC(C3)CC2(c2ccc(OC)cc2)C4)cc1
InChIInChI=1S/C26H30O2/c1-27-23-8-3-18(4-9-23)5-12-25-21-14-19-13-20(15-21)17-26(25,16-19)22-6-10-24(28-2)11-7-22/h3-4,6-12,19-21H,5,13-17H2,1-2H3
InChIKeyFKKDMWKXVRZUHC-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.95
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane

1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane (PubChem CID 72962310) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane
PubChem CID72962310
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane
SMILESCOc1ccc(CC=C2C3CC4CC(C3)CC2(c2ccc(OC)cc2)C4)cc1
InChIInChI=1S/C26H30O2/c1-27-23-8-3-18(4-9-23)5-12-25-21-14-19-13-20(15-21)17-26(25,16-19)22-6-10-24(28-2)11-7-22/h3-4,6-12,19-21H,5,13-17H2,1-2H3
InChIKeyFKKDMWKXVRZUHC-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane (CID 72962310) is 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane is COc1ccc(CC=C2C3CC4CC(C3)CC2(c2ccc(OC)cc2)C4)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane?
The InChIKey is FKKDMWKXVRZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-27-23-8-3-18(4-9-23)5-12-25-21-14-19-13-20(15-21)17-26(25,16-19)22-6-10-24(28-2)11-7-22/h3-4,6-12,19-21H,5,13-17H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane?
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane has a molecular weight of 374.52 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylidene]adamantane is sourced from PubChem (CID 72962310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).