(2-chloro-4,5-diethoxyphenyl)-phenylmethanone

C17H17ClO3 — CID 43340750

IUPAC(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
SMILESCCOc1cc(Cl)c(C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C17H17ClO3/c1-3-20-15-10-13(14(18)11-16(15)21-4-2)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyIUTXTWRFHZGGLP-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.37
Rot. Bonds6

About (2-chloro-4,5-diethoxyphenyl)-phenylmethanone

(2-chloro-4,5-diethoxyphenyl)-phenylmethanone (PubChem CID 43340750) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
PubChem CID43340750
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
SMILESCCOc1cc(Cl)c(C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C17H17ClO3/c1-3-20-15-10-13(14(18)11-16(15)21-4-2)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyIUTXTWRFHZGGLP-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
2-chloro-4,5-diethoxybenzamide
CID 82268164
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(E)-3-(2-chloro-4,5-diethoxyphenyl)pent-2-enoic acid
CID 83959383
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
CID 43340747
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-phenylmethanone?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-phenylmethanone (CID 43340750) is (2-chloro-4,5-diethoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-phenylmethanone is CCOc1cc(Cl)c(C(=O)c2ccccc2)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-phenylmethanone?
The InChIKey is IUTXTWRFHZGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-3-20-15-10-13(14(18)11-16(15)21-4-2)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-phenylmethanone?
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone has a molecular weight of 304.77 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-diethoxyphenyl)-phenylmethanone is sourced from PubChem (CID 43340750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).