(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

C19H18F2O5 — CID 9096969

IUPAC(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
SMILESCOc1ccc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H18F2O5/c1-23-16-9-5-14(11-17(16)24-2)12-25-18(22)10-6-13-3-7-15(8-4-13)26-19(20)21/h3-11,19H,12H2,1-2H3/b10-6+
InChIKeyVCSDNHCACVLJQG-UXBLZVDNSA-N
MW364.34 g/mol
LogP4.06
Rot. Bonds8

About (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate (PubChem CID 9096969) has the molecular formula C19H18F2O5 and a molecular weight of 364.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
PubChem CID9096969
Molecular FormulaC19H18F2O5
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
SMILESCOc1ccc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H18F2O5/c1-23-16-9-5-14(11-17(16)24-2)12-25-18(22)10-6-13-3-7-15(8-4-13)26-19(20)21/h3-11,19H,12H2,1-2H3/b10-6+
InChIKeyVCSDNHCACVLJQG-UXBLZVDNSA-N
XLogP4.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2477417
methyl 4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyloxymethyl]benzoate
CID 3503930
3-[4-(difluoromethoxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3828585
(3,4-dimethoxyphenyl)methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 9097097
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 24511642
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8939747
(E)-3-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-en-1-one
CID 19550848
(3-chlorophenyl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7668773
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 18204069
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 16619516

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
The IUPAC name of (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate (CID 9096969) is (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is COc1ccc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
The InChIKey is VCSDNHCACVLJQG-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H18F2O5/c1-23-16-9-5-14(11-17(16)24-2)12-25-18(22)10-6-13-3-7-15(8-4-13)26-19(20)21/h3-11,19H,12H2,1-2H3/b10-6+.
What are the key properties of (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
(3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate has a molecular weight of 364.34 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 9096969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).