(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone

C18H20O3 — CID 103433024

IUPAC(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H20O3/c1-5-21-16-9-7-6-8-14(16)17(19)15-11-10-12(2)13(3)18(15)20-4/h6-11H,5H2,1-4H3
InChIKeyKVYUNRUHKWUTHF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.94
Rot. Bonds5

About (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone

(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone (PubChem CID 103433024) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
PubChem CID103433024
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H20O3/c1-5-21-16-9-7-6-8-14(16)17(19)15-11-10-12(2)13(3)18(15)20-4/h6-11H,5H2,1-4H3
InChIKeyKVYUNRUHKWUTHF-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The IUPAC name of (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone (CID 103433024) is (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone.
What is the SMILES notation for (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The canonical SMILES for (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone is CCOc1ccccc1C(=O)c1ccc(C)c(C)c1OC.
What is the InChIKey of (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The InChIKey is KVYUNRUHKWUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-5-21-16-9-7-6-8-14(16)17(19)15-11-10-12(2)13(3)18(15)20-4/h6-11H,5H2,1-4H3.
What are the key properties of (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 103433024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).