1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

C19H18F2O3 — CID 162419475

IUPAC1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESC=CC(F)(F)O/C(=C\c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H18F2O3/c1-4-19(20,21)24-18(15-7-11-17(23-3)12-8-15)13-14-5-9-16(22-2)10-6-14/h4-13H,1H2,2-3H3/b18-13-
InChIKeyKGFHZVDUQGGXFH-AQTBWJFISA-N
MW332.35 g/mol
LogP5.00
Rot. Bonds7

About 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (PubChem CID 162419475) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
PubChem CID162419475
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Name1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESC=CC(F)(F)O/C(=C\c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H18F2O3/c1-4-19(20,21)24-18(15-7-11-17(23-3)12-8-15)13-14-5-9-16(22-2)10-6-14/h4-13H,1H2,2-3H3/b18-13-
InChIKeyKGFHZVDUQGGXFH-AQTBWJFISA-N
XLogP5.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethenyl] 2,2,2-trifluoroacetate
CID 101242043
N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
CID 162990023
(2Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]butane-1,3-dione
CID 126370205
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
1,3-bis(4-methoxyphenyl)-2-[[4-(trifluoromethyl)phenyl]methylidene]propane-1,3-dione
CID 46242474
1-methoxy-4-[(Z)-2,4,4,4-tetrafluorobut-1-enyl]benzene
CID 177473841
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (CID 162419475) is 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is C=CC(F)(F)O/C(=C\c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The InChIKey is KGFHZVDUQGGXFH-AQTBWJFISA-N. The full InChI is InChI=1S/C19H18F2O3/c1-4-19(20,21)24-18(15-7-11-17(23-3)12-8-15)13-14-5-9-16(22-2)10-6-14/h4-13H,1H2,2-3H3/b18-13-.
What are the key properties of 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene has a molecular weight of 332.35 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(1,1-difluoroprop-2-enoxy)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 162419475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).