(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone

C43H50O8 — CID 162254995

IUPAC(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone
SMILESCCOc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1.COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1
InChIInChI=1S/C22H26O4.C21H24O4/c1-6-26-15-9-7-14(8-10-15)19-20(22(19,2)3)21(23)17-13-16(24-4)11-12-18(17)25-5;1-21(2)18(13-6-8-14(23-3)9-7-13)19(21)20(22)16-12-15(24-4)10-11-17(16)25-5/h7-13,19-20H,6H2,1-5H3;6-12,18-19H,1-5H3
InChIKeyZYMBKQJLJWBNDD-UHFFFAOYSA-N
MW694.87 g/mol
LogP9.06
Rot. Bonds13

About (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone

(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone (PubChem CID 162254995) has the molecular formula C43H50O8 and a molecular weight of 694.87 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone
PubChem CID162254995
Molecular FormulaC43H50O8
Molecular Weight694.87 g/mol
Exact Mass694.35
IUPAC Name(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone
SMILESCCOc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1.COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1
InChIInChI=1S/C22H26O4.C21H24O4/c1-6-26-15-9-7-14(8-10-15)19-20(22(19,2)3)21(23)17-13-16(24-4)11-12-18(17)25-5;1-21(2)18(13-6-8-14(23-3)9-7-13)19(21)20(22)16-12-15(24-4)10-11-17(16)25-5/h7-13,19-20H,6H2,1-5H3;6-12,18-19H,1-5H3
InChIKeyZYMBKQJLJWBNDD-UHFFFAOYSA-N
XLogP9.06
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.87
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone with MolForge

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Related Compounds

[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone
CID 159050784
(2,5-dimethoxyphenyl)-[3-(3-hydroxy-4-methylphenyl)-2,2-dimethylcyclopropyl]methanone
CID 22491338
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108693091
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
3-bromo-1-(5-ethoxy-2-methoxyphenyl)propan-1-one
CID 134625052
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone (CID 162254995) is (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone is CCOc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1.COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone?
The InChIKey is ZYMBKQJLJWBNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4.C21H24O4/c1-6-26-15-9-7-14(8-10-15)19-20(22(19,2)3)21(23)17-13-16(24-4)11-12-18(17)25-5;1-21(2)18(13-6-8-14(23-3)9-7-13)19(21)20(22)16-12-15(24-4)10-11-17(16)25-5/h7-13,19-20H,6H2,1-5H3;6-12,18-19H,1-5H3.
What are the key properties of (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone?
(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone has a molecular weight of 694.87 g/mol, XLogP of 9.06, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone is sourced from PubChem (CID 162254995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).