1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene

C16H13Cl2FO — CID 68734487

IUPAC1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene
SMILESCOc1cc(F)ccc1/C(=C/c1ccccc1Cl)CCl
InChIInChI=1S/C16H13Cl2FO/c1-20-16-9-13(19)6-7-14(16)12(10-17)8-11-4-2-3-5-15(11)18/h2-9H,10H2,1H3/b12-8+
InChIKeyQFXRYZLILBHGRO-XYOKQWHBSA-N
MW311.18 g/mol
LogP5.27
Rot. Bonds4

About 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene

1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene (PubChem CID 68734487) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene
PubChem CID68734487
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene
SMILESCOc1cc(F)ccc1/C(=C/c1ccccc1Cl)CCl
InChIInChI=1S/C16H13Cl2FO/c1-20-16-9-13(19)6-7-14(16)12(10-17)8-11-4-2-3-5-15(11)18/h2-9H,10H2,1H3/b12-8+
InChIKeyQFXRYZLILBHGRO-XYOKQWHBSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
CID 68781778
2-chloro-1-[(Z)-3-chloro-1-(2-fluorophenyl)prop-1-en-2-yl]-4-fluorobenzene
CID 68734505
2-[3-chloro-1-(2-methylphenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68782958
(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
CID 14497611
3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
CID 55262322
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
CID 131589016
4-chloro-1-(4-fluoro-2-methoxyphenyl)butan-1-one
CID 146006790
1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
CID 68781452
5-chloro-1-(4-fluoro-2-methoxyphenyl)pentan-1-one
CID 146006797
N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine
CID 101462836
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene?
The IUPAC name of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene (CID 68734487) is 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene?
The canonical SMILES for 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene is COc1cc(F)ccc1/C(=C/c1ccccc1Cl)CCl.
What is the InChIKey of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene?
The InChIKey is QFXRYZLILBHGRO-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c1-20-16-9-13(19)6-7-14(16)12(10-17)8-11-4-2-3-5-15(11)18/h2-9H,10H2,1H3/b12-8+.
What are the key properties of 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene?
1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene has a molecular weight of 311.18 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene is sourced from PubChem (CID 68734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).