1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone

C25H27NO2 — CID 158911556

IUPAC1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1cc(OCc2ccccc2)c(C(=O)Cc2cccnc2C)cc1C(C)C
InChIInChI=1S/C25H27NO2/c1-17(2)22-15-23(24(27)14-21-11-8-12-26-19(21)4)25(13-18(22)3)28-16-20-9-6-5-7-10-20/h5-13,15,17H,14,16H2,1-4H3
InChIKeyJGSFNMWLTUXGBN-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.83
Rot. Bonds7

About 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone

1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone (PubChem CID 158911556) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone
PubChem CID158911556
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1cc(OCc2ccccc2)c(C(=O)Cc2cccnc2C)cc1C(C)C
InChIInChI=1S/C25H27NO2/c1-17(2)22-15-23(24(27)14-21-11-8-12-26-19(21)4)25(13-18(22)3)28-16-20-9-6-5-7-10-20/h5-13,15,17H,14,16H2,1-4H3
InChIKeyJGSFNMWLTUXGBN-UHFFFAOYSA-N
XLogP5.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
CID 160947499
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
CID 158421161
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
CID 71494602
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone (CID 158911556) is 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone is Cc1cc(OCc2ccccc2)c(C(=O)Cc2cccnc2C)cc1C(C)C.
What is the InChIKey of 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is JGSFNMWLTUXGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17(2)22-15-23(24(27)14-21-11-8-12-26-19(21)4)25(13-18(22)3)28-16-20-9-6-5-7-10-20/h5-13,15,17H,14,16H2,1-4H3.
What are the key properties of 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone?
1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 373.50 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 158911556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).