[3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone

C30H29NO2 — CID 123742919

IUPAC[3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone
SMILESCCC(C)(C)c1cccc(C(=O)c2cccc(-c3ccccn3)c2)c1OCc1ccccc1
InChIInChI=1S/C30H29NO2/c1-4-30(2,3)26-17-11-16-25(29(26)33-21-22-12-6-5-7-13-22)28(32)24-15-10-14-23(20-24)27-18-8-9-19-31-27/h5-20H,4,21H2,1-3H3
InChIKeySUNLPTKOBGJEQU-UHFFFAOYSA-N
MW435.57 g/mol
LogP7.25
Rot. Bonds8

About [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone

[3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone (PubChem CID 123742919) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone
PubChem CID123742919
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name[3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone
SMILESCCC(C)(C)c1cccc(C(=O)c2cccc(-c3ccccn3)c2)c1OCc1ccccc1
InChIInChI=1S/C30H29NO2/c1-4-30(2,3)26-17-11-16-25(29(26)33-21-22-12-6-5-7-13-22)28(32)24-15-10-14-23(20-24)27-18-8-9-19-31-27/h5-20H,4,21H2,1-3H3
InChIKeySUNLPTKOBGJEQU-UHFFFAOYSA-N
XLogP7.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
CID 58238538
(3-pyridin-2-ylphenyl) 2-ethyl-2-methylbutanoate
CID 59386515
2-[3-(1-phenylethenyl)-2-phenylmethoxyphenyl]pyridine
CID 58238539
3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
CID 141486571
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
3-pyridin-2-ylbenzoate
CID 7020368
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
(E)-3-(3-pyridin-2-ylphenyl)but-2-enoic acid
CID 82544253
2-phenylpyridine;propan-2-one
CID 174845023
2,4-bis[3-(3-tert-butyl-2-phenylmethoxyphenyl)phenyl]pentan-3-one
CID 174662245

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone?
The IUPAC name of [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone (CID 123742919) is [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone is CCC(C)(C)c1cccc(C(=O)c2cccc(-c3ccccn3)c2)c1OCc1ccccc1.
What is the InChIKey of [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone?
The InChIKey is SUNLPTKOBGJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c1-4-30(2,3)26-17-11-16-25(29(26)33-21-22-12-6-5-7-13-22)28(32)24-15-10-14-23(20-24)27-18-8-9-19-31-27/h5-20H,4,21H2,1-3H3.
What are the key properties of [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone?
[3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone has a molecular weight of 435.57 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylbutan-2-yl)-2-phenylmethoxyphenyl]-(3-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 123742919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).