(E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one

C21H25NO2 — CID 161373324

IUPAC(E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one
SMILESCCCc1ccc(Oc2ccc(/C=C/[C@H](C)CC(C)=O)cc2)nc1
InChIInChI=1S/C21H25NO2/c1-4-5-19-10-13-21(22-15-19)24-20-11-8-18(9-12-20)7-6-16(2)14-17(3)23/h6-13,15-16H,4-5,14H2,1-3H3/b7-6+/t16-/m0/s1
InChIKeyVQTDEOHSSPJYTH-MOEXGYKKSA-N
MW323.44 g/mol
LogP5.45
Rot. Bonds8

About (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one

(E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one (PubChem CID 161373324) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one.

Molecular Properties

Compound Name(E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one
PubChem CID161373324
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one
SMILESCCCc1ccc(Oc2ccc(/C=C/[C@H](C)CC(C)=O)cc2)nc1
InChIInChI=1S/C21H25NO2/c1-4-5-19-10-13-21(22-15-19)24-20-11-8-18(9-12-20)7-6-16(2)14-17(3)23/h6-13,15-16H,4-5,14H2,1-3H3/b7-6+/t16-/m0/s1
InChIKeyVQTDEOHSSPJYTH-MOEXGYKKSA-N
XLogP5.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E,4R)-6-[6-(2-chloro-3-propylphenoxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 162203352
(E,4R)-6-[6-(2,3-dihydro-1-benzofuran-5-yloxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 159300255
(E,4R)-6-[6-(2-chloro-4,5-dimethylphenoxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 158182135
ethyl (E,4R)-6-[6-(2-chloro-4-propylphenoxy)-3-pyridinyl]-4-methyl-2-oxohex-5-enoate
CID 159081663
(E,4R)-6-[6-(2-chloro-4-pyridin-3-yloxyphenoxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 158997888
N-[(E,2S)-4-[6-(4-chloro-3-propylphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118345832
N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344356
(E,4R)-6-[6-[2-chloro-4-(2-methylpropylsulfonyl)phenoxy]-3-pyridinyl]-4-methylhex-5-en-2-one
CID 157334794
6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
(E,4R)-6-[6-[(6-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]-3-pyridinyl]-4-methylhex-5-en-2-one
CID 159217723

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one?
The IUPAC name of (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one (CID 161373324) is (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one.
What is the SMILES notation for (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one?
The canonical SMILES for (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one is CCCc1ccc(Oc2ccc(/C=C/[C@H](C)CC(C)=O)cc2)nc1.
What is the InChIKey of (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one?
The InChIKey is VQTDEOHSSPJYTH-MOEXGYKKSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-5-19-10-13-21(22-15-19)24-20-11-8-18(9-12-20)7-6-16(2)14-17(3)23/h6-13,15-16H,4-5,14H2,1-3H3/b7-6+/t16-/m0/s1.
What are the key properties of (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one?
(E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one has a molecular weight of 323.44 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-methyl-6-[4-[(5-propyl-2-pyridinyl)oxy]phenyl]hex-5-en-2-one is sourced from PubChem (CID 161373324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).