bis(3,4-diethoxyphenyl)methanone

C21H26O5 — CID 135325793

IUPACbis(3,4-diethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OCC)c(OCC)c2)cc1OCC
InChIInChI=1S/C21H26O5/c1-5-23-17-11-9-15(13-19(17)25-7-3)21(22)16-10-12-18(24-6-2)20(14-16)26-8-4/h9-14H,5-8H2,1-4H3
InChIKeyGAKMNQUGGFQYMB-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.51
Rot. Bonds10

About bis(3,4-diethoxyphenyl)methanone

bis(3,4-diethoxyphenyl)methanone (PubChem CID 135325793) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is bis(3,4-diethoxyphenyl)methanone.

Molecular Properties

Compound Namebis(3,4-diethoxyphenyl)methanone
PubChem CID135325793
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Namebis(3,4-diethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OCC)c(OCC)c2)cc1OCC
InChIInChI=1S/C21H26O5/c1-5-23-17-11-9-15(13-19(17)25-7-3)21(22)16-10-12-18(24-6-2)20(14-16)26-8-4/h9-14H,5-8H2,1-4H3
InChIKeyGAKMNQUGGFQYMB-UHFFFAOYSA-N
XLogP4.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
ethyl 3,4-diethoxybenzoate
CID 586407
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195255

Frequently Asked Questions

What is the IUPAC name of bis(3,4-diethoxyphenyl)methanone?
The IUPAC name of bis(3,4-diethoxyphenyl)methanone (CID 135325793) is bis(3,4-diethoxyphenyl)methanone.
What is the SMILES notation for bis(3,4-diethoxyphenyl)methanone?
The canonical SMILES for bis(3,4-diethoxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc(OCC)c(OCC)c2)cc1OCC.
What is the InChIKey of bis(3,4-diethoxyphenyl)methanone?
The InChIKey is GAKMNQUGGFQYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-5-23-17-11-9-15(13-19(17)25-7-3)21(22)16-10-12-18(24-6-2)20(14-16)26-8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of bis(3,4-diethoxyphenyl)methanone?
bis(3,4-diethoxyphenyl)methanone has a molecular weight of 358.43 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-diethoxyphenyl)methanone is sourced from PubChem (CID 135325793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).