(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate

C19H15F2NO5 — CID 18278969

IUPAC(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
SMILESCOc1cc(C#N)ccc1OC(=O)/C=C/c1cccc(OC)c1OC(F)F
InChIInChI=1S/C19H15F2NO5/c1-24-15-5-3-4-13(18(15)27-19(20)21)7-9-17(23)26-14-8-6-12(11-22)10-16(14)25-2/h3-10,19H,1-2H3/b9-7+
InChIKeyIFCPYZDTNHSADY-VQHVLOKHSA-N
MW375.33 g/mol
LogP3.80
Rot. Bonds7

About (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate

(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate (PubChem CID 18278969) has the molecular formula C19H15F2NO5 and a molecular weight of 375.33 g/mol. Its IUPAC name is (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Name(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
PubChem CID18278969
Molecular FormulaC19H15F2NO5
Molecular Weight375.33 g/mol
Exact Mass375.09
IUPAC Name(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
SMILESCOc1cc(C#N)ccc1OC(=O)/C=C/c1cccc(OC)c1OC(F)F
InChIInChI=1S/C19H15F2NO5/c1-24-15-5-3-4-13(18(15)27-19(20)21)7-9-17(23)26-14-8-6-12(11-22)10-16(14)25-2/h3-10,19H,1-2H3/b9-7+
InChIKeyIFCPYZDTNHSADY-VQHVLOKHSA-N
XLogP3.80
TPSA77.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-cyanophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26701108
(E)-N-(3-cyanophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-propan-2-ylprop-2-enamide
CID 60615241
(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2715605
(4-methoxy-2-nitrophenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 55388495
(4-cyano-2-methoxyphenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 26892097
cyclohexyl (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 60599243
methyl 4-[(E)-3-(4-cyano-2-methoxyphenoxy)-3-oxoprop-1-enyl]benzoate
CID 8501705
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8974882
ethyl 3-(4-cyano-2-methoxyphenyl)prop-2-enoate
CID 169481283
(Z)-N-(cyanomethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 97378359
(2-chloro-4-cyano-6-ethoxyphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 30870990
3-(4-cyano-2-methoxyphenyl)prop-2-enamide
CID 169482899

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate?
The IUPAC name of (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate (CID 18278969) is (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate?
The canonical SMILES for (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate is COc1cc(C#N)ccc1OC(=O)/C=C/c1cccc(OC)c1OC(F)F.
What is the InChIKey of (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate?
The InChIKey is IFCPYZDTNHSADY-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H15F2NO5/c1-24-15-5-3-4-13(18(15)27-19(20)21)7-9-17(23)26-14-8-6-12(11-22)10-16(14)25-2/h3-10,19H,1-2H3/b9-7+.
What are the key properties of (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate?
(4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate has a molecular weight of 375.33 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-methoxyphenyl) (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 18278969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).