2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone

C18H19ClO4 — CID 141186546

IUPAC2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone
SMILESCCOc1ccc(C(=O)C(O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C18H19ClO4/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(20)18(21)13-7-5-6-8-14(13)19/h5-11,18,21H,3-4H2,1-2H3
InChIKeySBYQCDKELUJHPQ-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.05
Rot. Bonds7

About 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone

2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone (PubChem CID 141186546) has the molecular formula C18H19ClO4 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone
PubChem CID141186546
Molecular FormulaC18H19ClO4
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone
SMILESCCOc1ccc(C(=O)C(O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C18H19ClO4/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(20)18(21)13-7-5-6-8-14(13)19/h5-11,18,21H,3-4H2,1-2H3
InChIKeySBYQCDKELUJHPQ-UHFFFAOYSA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
2-chloro-1-(3,4-diethoxyphenyl)butan-1-one
CID 82254834
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90574825
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile
CID 11231077

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone (CID 141186546) is 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone is CCOc1ccc(C(=O)C(O)c2ccccc2Cl)cc1OCC.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone?
The InChIKey is SBYQCDKELUJHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO4/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(20)18(21)13-7-5-6-8-14(13)19/h5-11,18,21H,3-4H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone?
2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone has a molecular weight of 334.80 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3,4-diethoxyphenyl)-2-hydroxyethanone is sourced from PubChem (CID 141186546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).