1-[2-(3,4-diethoxyphenyl)phenyl]ethanone

C18H20O3 — CID 61025839

IUPAC1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
SMILESCCOc1ccc(-c2ccccc2C(C)=O)cc1OCC
InChIInChI=1S/C18H20O3/c1-4-20-17-11-10-14(12-18(17)21-5-2)16-9-7-6-8-15(16)13(3)19/h6-12H,4-5H2,1-3H3
InChIKeyAVPWSYZNOOZZFF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.35
Rot. Bonds6

About 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone

1-[2-(3,4-diethoxyphenyl)phenyl]ethanone (PubChem CID 61025839) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
PubChem CID61025839
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
SMILESCCOc1ccc(-c2ccccc2C(C)=O)cc1OCC
InChIInChI=1S/C18H20O3/c1-4-20-17-11-10-14(12-18(17)21-5-2)16-9-7-6-8-15(16)13(3)19/h6-12H,4-5H2,1-3H3
InChIKeyAVPWSYZNOOZZFF-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-acetylphenyl)-2-nonoxybenzoic acid
CID 171991081
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile
CID 17488542
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
2-(3,4-diethoxyphenyl)-1H-indole;propan-2-one
CID 70629794
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone (CID 61025839) is 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone is CCOc1ccc(-c2ccccc2C(C)=O)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone?
The InChIKey is AVPWSYZNOOZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-20-17-11-10-14(12-18(17)21-5-2)16-9-7-6-8-15(16)13(3)19/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone?
1-[2-(3,4-diethoxyphenyl)phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 61025839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).