1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone

C24H25FO2 — CID 67219242

IUPAC1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H25FO2/c25-22-11-20(27-15-16-4-2-1-3-5-16)6-7-21(22)23(26)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2
InChIKeyVCOXSXADDRKZES-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.80
Rot. Bonds5

About 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone

1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone (PubChem CID 67219242) has the molecular formula C24H25FO2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone
PubChem CID67219242
Molecular FormulaC24H25FO2
Molecular Weight364.46 g/mol
Exact Mass364.18
IUPAC Name1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H25FO2/c25-22-11-20(27-15-16-4-2-1-3-5-16)6-7-21(22)23(26)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2
InChIKeyVCOXSXADDRKZES-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 86237178
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
[2-(1-adamantyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 7718124
ethane;4-phenylmethoxyphthalic acid
CID 90802135
(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
CID 177378873
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone?
The IUPAC name of 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone (CID 67219242) is 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone?
The canonical SMILES for 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone is O=C(c1ccc(OCc2ccccc2)cc1F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone?
The InChIKey is VCOXSXADDRKZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO2/c25-22-11-20(27-15-16-4-2-1-3-5-16)6-7-21(22)23(26)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2.
What are the key properties of 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone?
1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone has a molecular weight of 364.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 67219242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).