(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone

C17H18O4 — CID 14297393

IUPAC(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18O4/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3/h5-11H,4H2,1-3H3
InChIKeyJKBBPUVZEOOWOU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.33
Rot. Bonds6

About (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone

(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone (PubChem CID 14297393) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
PubChem CID14297393
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18O4/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3/h5-11H,4H2,1-3H3
InChIKeyJKBBPUVZEOOWOU-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
CID 25178443
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558734

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone (CID 14297393) is (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is JKBBPUVZEOOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3/h5-11H,4H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 286.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 14297393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).