1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one

C29H27NO2 — CID 158757957

IUPAC1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one
SMILESO=C(CCc1ccncc1)Cc1ccc(OCCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C29H27NO2/c31-27(13-10-23-16-19-30-20-17-23)22-24-11-14-28(15-12-24)32-21-18-26-8-4-5-9-29(26)25-6-2-1-3-7-25/h1-9,11-12,14-17,19-20H,10,13,18,21-22H2
InChIKeyIOHOUKLIIMXXLE-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.11
Rot. Bonds10

About 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one

1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one (PubChem CID 158757957) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one
PubChem CID158757957
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one
SMILESO=C(CCc1ccncc1)Cc1ccc(OCCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C29H27NO2/c31-27(13-10-23-16-19-30-20-17-23)22-24-11-14-28(15-12-24)32-21-18-26-8-4-5-9-29(26)25-6-2-1-3-7-25/h1-9,11-12,14-17,19-20H,10,13,18,21-22H2
InChIKeyIOHOUKLIIMXXLE-UHFFFAOYSA-N
XLogP6.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-[4-(2-oxo-4-pyridin-3-ylbutyl)phenoxy]ethyl]phenyl]benzoic acid
CID 149033960
1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea
CID 152746535
1-[4-[2-[2-[2-[3-(dimethylamino)-2-oxopropyl]phenyl]phenyl]ethoxy]phenyl]-4-pyridin-3-ylbutan-2-one
CID 153219617
1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
CID 161218942
1-[4-(2-phenylethylsulfonyl)phenyl]-4-pyridin-4-ylbutan-2-one
CID 158930163
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
N,N-dimethyl-2-[2-[2-[4-[4-(1-methylpyridin-1-ium-3-yl)-2-oxobutyl]phenoxy]ethyl]phenyl]benzenesulfonamide
CID 147165042
1-[4-[(2-phenylphenyl)sulfinylmethyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 160725556
1-[4-[[2-[3-[(cyclopropylamino)methyl]phenyl]phenyl]methoxy]phenyl]-4-pyridin-3-ylbutan-2-one
CID 161398911
2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
CID 60891304
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-isoquinolin-6-yl-4-phenylbutan-2-one
CID 58367623

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one?
The IUPAC name of 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one (CID 158757957) is 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one.
What is the SMILES notation for 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one?
The canonical SMILES for 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one is O=C(CCc1ccncc1)Cc1ccc(OCCc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one?
The InChIKey is IOHOUKLIIMXXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c31-27(13-10-23-16-19-30-20-17-23)22-24-11-14-28(15-12-24)32-21-18-26-8-4-5-9-29(26)25-6-2-1-3-7-25/h1-9,11-12,14-17,19-20H,10,13,18,21-22H2.
What are the key properties of 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one?
1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one has a molecular weight of 421.54 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one is sourced from PubChem (CID 158757957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).