1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one

C23H18ClNO2 — CID 141480414

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)C=Cc1ccccn1
InChIInChI=1S/C23H18ClNO2/c24-23-7-2-1-5-19(23)17-27-22-14-9-18(10-15-22)8-12-21(26)13-11-20-6-3-4-16-25-20/h1-16H,17H2
InChIKeyKFURVTWYYJKQCX-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.61
Rot. Bonds7

About 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one

1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one (PubChem CID 141480414) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one
PubChem CID141480414
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)C=Cc1ccccn1
InChIInChI=1S/C23H18ClNO2/c24-23-7-2-1-5-19(23)17-27-22-14-9-18(10-15-22)8-12-21(26)13-11-20-6-3-4-16-25-20/h1-16H,17H2
InChIKeyKFURVTWYYJKQCX-UHFFFAOYSA-N
XLogP5.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245052
ethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684542
[[(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoyl]amino]thiourea
CID 102535052
(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 3526396
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N-[1-[4-[(3-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-ylidene]hydroxylamine
CID 141480396
(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108755340
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 1194598
(2-fluorophenyl)methyl (Z)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 97357513
(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108764615

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one (CID 141480414) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one is O=C(C=Cc1ccc(OCc2ccccc2Cl)cc1)C=Cc1ccccn1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one?
The InChIKey is KFURVTWYYJKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c24-23-7-2-1-5-19(23)17-27-22-14-9-18(10-15-22)8-12-21(26)13-11-20-6-3-4-16-25-20/h1-16H,17H2.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one has a molecular weight of 375.86 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 141480414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).