1-(2-methoxy-5-phenylphenyl)adamantane

C23H26O — CID 67688498

IUPAC1-(2-methoxy-5-phenylphenyl)adamantane
SMILESCOc1ccc(-c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26O/c1-24-22-8-7-20(19-5-3-2-4-6-19)12-21(22)23-13-16-9-17(14-23)11-18(10-16)15-23/h2-8,12,16-18H,9-11,13-15H2,1H3
InChIKeyBIFVYFNPFNKWEP-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.83
Rot. Bonds3

About 1-(2-methoxy-5-phenylphenyl)adamantane

1-(2-methoxy-5-phenylphenyl)adamantane (PubChem CID 67688498) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-phenylphenyl)adamantane.

Molecular Properties

Compound Name1-(2-methoxy-5-phenylphenyl)adamantane
PubChem CID67688498
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name1-(2-methoxy-5-phenylphenyl)adamantane
SMILESCOc1ccc(-c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26O/c1-24-22-8-7-20(19-5-3-2-4-6-19)12-21(22)23-13-16-9-17(14-23)11-18(10-16)15-23/h2-8,12,16-18H,9-11,13-15H2,1H3
InChIKeyBIFVYFNPFNKWEP-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Methoxybiphenyl
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1,1'-Biphenyl, 4,4'-dimethoxy-
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1,1'-(Phenylmethylene)bis(4-methoxybenzene)
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CID 161716
Multicaulin
CID 467782
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CID 221573
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CID 8541

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-phenylphenyl)adamantane?
The IUPAC name of 1-(2-methoxy-5-phenylphenyl)adamantane (CID 67688498) is 1-(2-methoxy-5-phenylphenyl)adamantane.
What is the SMILES notation for 1-(2-methoxy-5-phenylphenyl)adamantane?
The canonical SMILES for 1-(2-methoxy-5-phenylphenyl)adamantane is COc1ccc(-c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-methoxy-5-phenylphenyl)adamantane?
The InChIKey is BIFVYFNPFNKWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-24-22-8-7-20(19-5-3-2-4-6-19)12-21(22)23-13-16-9-17(14-23)11-18(10-16)15-23/h2-8,12,16-18H,9-11,13-15H2,1H3.
What are the key properties of 1-(2-methoxy-5-phenylphenyl)adamantane?
1-(2-methoxy-5-phenylphenyl)adamantane has a molecular weight of 318.46 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-phenylphenyl)adamantane is sourced from PubChem (CID 67688498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).