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

C19H17F2O6- — CID 2344559

IUPAC(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)[O-])cc1OC
InChIInChI=1S/C19H18F2O6/c1-24-14-7-5-12(10-17(14)26-3)13(18(22)23)8-11-4-6-15(27-19(20)21)16(9-11)25-2/h4-10,19H,1-3H3,(H,22,23)/p-1/b13-8+
InChIKeyQQYYMQQANNDTRE-MDWZMJQESA-M
MW379.34 g/mol
LogP2.60
Rot. Bonds8

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

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 2344559) has the molecular formula C19H17F2O6- and a molecular weight of 379.34 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate
PubChem CID2344559
Molecular FormulaC19H17F2O6-
Molecular Weight379.34 g/mol
Exact Mass379.10
IUPAC Name(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)[O-])cc1OC
InChIInChI=1S/C19H18F2O6/c1-24-14-7-5-12(10-17(14)26-3)13(18(22)23)8-11-4-6-15(27-19(20)21)16(9-11)25-2/h4-10,19H,1-3H3,(H,22,23)/p-1/b13-8+
InChIKeyQQYYMQQANNDTRE-MDWZMJQESA-M
XLogP2.60
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78565472
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135
2-methylpropyl (Z)-2,3-bis(3,4-dimethoxyphenyl)prop-2-enoate
CID 5468999
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 4806151
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
propan-2-yl (E)-2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 6213682
2-bromo-1-[4-(difluoromethoxy)-3-methoxyphenyl]propan-1-one
CID 19106513
3-[4-(difluoromethoxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3828585
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75850114
(E)-3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-fluorobenzoyl)prop-2-enenitrile
CID 9338156

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate (CID 2344559) is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)[O-])cc1OC.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is QQYYMQQANNDTRE-MDWZMJQESA-M. The full InChI is InChI=1S/C19H18F2O6/c1-24-14-7-5-12(10-17(14)26-3)13(18(22)23)8-11-4-6-15(27-19(20)21)16(9-11)25-2/h4-10,19H,1-3H3,(H,22,23)/p-1/b13-8+.
What are the key properties of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate?
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 379.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2344559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).