1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane

C26H28O — CID 162650482

IUPAC1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane
SMILESCOc1ccc(C2=Cc3ccccc3C2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28O/c1-27-25-7-6-22(23-11-20-4-2-3-5-21(20)12-23)13-24(25)26-14-17-8-18(15-26)10-19(9-17)16-26/h2-7,11,13,17-19H,8-10,12,14-16H2,1H3
InChIKeyFGYUHKJMVXXNLB-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.26
Rot. Bonds3

About 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane

1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane (PubChem CID 162650482) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane.

Molecular Properties

Compound Name1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane
PubChem CID162650482
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane
SMILESCOc1ccc(C2=Cc3ccccc3C2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28O/c1-27-25-7-6-22(23-11-20-4-2-3-5-21(20)12-23)13-24(25)26-14-17-8-18(15-26)10-19(9-17)16-26/h2-7,11,13,17-19H,8-10,12,14-16H2,1H3
InChIKeyFGYUHKJMVXXNLB-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.26
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-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane?
The IUPAC name of 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane (CID 162650482) is 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane.
What is the SMILES notation for 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane?
The canonical SMILES for 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane is COc1ccc(C2=Cc3ccccc3C2)cc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane?
The InChIKey is FGYUHKJMVXXNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-27-25-7-6-22(23-11-20-4-2-3-5-21(20)12-23)13-24(25)26-14-17-8-18(15-26)10-19(9-17)16-26/h2-7,11,13,17-19H,8-10,12,14-16H2,1H3.
What are the key properties of 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane?
1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane has a molecular weight of 356.51 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-inden-2-yl)-2-methoxyphenyl]adamantane is sourced from PubChem (CID 162650482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).