1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone

C23H21NO2 — CID 118408149

IUPAC1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)c1ccc(OCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C23H21NO2/c25-23(15-17-11-13-24-14-12-17)21-7-9-22(10-8-21)26-16-18-1-3-19(4-2-18)20-5-6-20/h1-4,7-14,20H,5-6,15-16H2
InChIKeyKLURATQPJYLMLV-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.96
Rot. Bonds7

About 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone

1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone (PubChem CID 118408149) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone
PubChem CID118408149
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)c1ccc(OCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C23H21NO2/c25-23(15-17-11-13-24-14-12-17)21-7-9-22(10-8-21)26-16-18-1-3-19(4-2-18)20-5-6-20/h1-4,7-14,20H,5-6,15-16H2
InChIKeyKLURATQPJYLMLV-UHFFFAOYSA-N
XLogP4.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylphenyl)-2-pyridin-4-ylethanone
CID 22282352
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone
CID 53465480
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
CID 59938752
2-(4-aminophenyl)-1-(4-cyclobutylphenyl)ethanone
CID 116549633
1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349671
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
CID 116505569
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone (CID 118408149) is 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)c1ccc(OCc2ccc(C3CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
The InChIKey is KLURATQPJYLMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-23(15-17-11-13-24-14-12-17)21-7-9-22(10-8-21)26-16-18-1-3-19(4-2-18)20-5-6-20/h1-4,7-14,20H,5-6,15-16H2.
What are the key properties of 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone has a molecular weight of 343.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 118408149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).