1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane

C23H25ClO — CID 162666097

IUPAC1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane
SMILESCOc1ccc(-c2ccccc2Cl)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25ClO/c1-25-22-7-6-18(19-4-2-3-5-21(19)24)11-20(22)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-17H,8-10,12-14H2,1H3
InChIKeyGLKZBWPVWZTEBJ-UHFFFAOYSA-N
MW352.91 g/mol
LogP6.48
Rot. Bonds3

About 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane

1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane (PubChem CID 162666097) has the molecular formula C23H25ClO and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane
PubChem CID162666097
Molecular FormulaC23H25ClO
Molecular Weight352.91 g/mol
Exact Mass352.16
IUPAC Name1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane
SMILESCOc1ccc(-c2ccccc2Cl)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25ClO/c1-25-22-7-6-18(19-4-2-3-5-21(19)24)11-20(22)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-17H,8-10,12-14H2,1H3
InChIKeyGLKZBWPVWZTEBJ-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane?
The IUPAC name of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane (CID 162666097) is 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane?
The canonical SMILES for 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane is COc1ccc(-c2ccccc2Cl)cc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane?
The InChIKey is GLKZBWPVWZTEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClO/c1-25-22-7-6-18(19-4-2-3-5-21(19)24)11-20(22)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-17H,8-10,12-14H2,1H3.
What are the key properties of 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane?
1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane has a molecular weight of 352.91 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-2-methoxyphenyl]adamantane is sourced from PubChem (CID 162666097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).