1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane

C24H28O2 — CID 162663308

IUPAC1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane
SMILESCOc1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1
InChIInChI=1S/C24H28O2/c1-25-21-5-3-4-19(11-21)20-6-7-23(26-2)22(12-20)24-13-16-8-17(14-24)10-18(9-16)15-24/h3-7,11-12,16-18H,8-10,13-15H2,1-2H3
InChIKeyJDKRDVXZXRULJJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.84
Rot. Bonds4

About 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane

1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane (PubChem CID 162663308) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane.

Molecular Properties

Compound Name1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane
PubChem CID162663308
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane
SMILESCOc1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1
InChIInChI=1S/C24H28O2/c1-25-21-5-3-4-19(11-21)20-6-7-23(26-2)22(12-20)24-13-16-8-17(14-24)10-18(9-16)15-24/h3-7,11-12,16-18H,8-10,13-15H2,1-2H3
InChIKeyJDKRDVXZXRULJJ-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane?
The IUPAC name of 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane (CID 162663308) is 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane.
What is the SMILES notation for 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane?
The canonical SMILES for 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane is COc1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1.
What is the InChIKey of 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane?
The InChIKey is JDKRDVXZXRULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-25-21-5-3-4-19(11-21)20-6-7-23(26-2)22(12-20)24-13-16-8-17(14-24)10-18(9-16)15-24/h3-7,11-12,16-18H,8-10,13-15H2,1-2H3.
What are the key properties of 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane?
1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane has a molecular weight of 348.49 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(3-methoxyphenyl)phenyl]adamantane is sourced from PubChem (CID 162663308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).