(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one

C20H18Cl2O3 — CID 19558963

IUPAC(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)C2CC2)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2O3/c1-24-19-4-2-3-15(8-10-18(23)14-6-7-14)20(19)25-12-13-5-9-16(21)17(22)11-13/h2-5,8-11,14H,6-7,12H2,1H3/b10-8+
InChIKeyZQGJJODGHCKBET-CSKARUKUSA-N
MW377.27 g/mol
LogP5.57
Rot. Bonds7

About (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one

(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one (PubChem CID 19558963) has the molecular formula C20H18Cl2O3 and a molecular weight of 377.27 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
PubChem CID19558963
Molecular FormulaC20H18Cl2O3
Molecular Weight377.27 g/mol
Exact Mass376.06
IUPAC Name(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)C2CC2)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2O3/c1-24-19-4-2-3-15(8-10-18(23)14-6-7-14)20(19)25-12-13-5-9-16(21)17(22)11-13/h2-5,8-11,14H,6-7,12H2,1H3/b10-8+
InChIKeyZQGJJODGHCKBET-CSKARUKUSA-N
XLogP5.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 19558757
(E)-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19543164
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057801
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058123
1-(3,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 5063512
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891
2-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812
3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20993958
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820
(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 51058119

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one (CID 19558963) is (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one is COc1cccc(/C=C/C(=O)C2CC2)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one?
The InChIKey is ZQGJJODGHCKBET-CSKARUKUSA-N. The full InChI is InChI=1S/C20H18Cl2O3/c1-24-19-4-2-3-15(8-10-18(23)14-6-7-14)20(19)25-12-13-5-9-16(21)17(22)11-13/h2-5,8-11,14H,6-7,12H2,1H3/b10-8+.
What are the key properties of (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one?
(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one has a molecular weight of 377.27 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one is sourced from PubChem (CID 19558963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).