(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone

C15H19ClO3 — CID 43162240

IUPAC(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
SMILESCCOc1cc(Cl)c(C(=O)C2CC2C)cc1OCC
InChIInChI=1S/C15H19ClO3/c1-4-18-13-7-11(15(17)10-6-9(10)3)12(16)8-14(13)19-5-2/h7-10H,4-6H2,1-3H3
InChIKeyGDVHTUZRXBQRGR-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.98
Rot. Bonds6

About (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone

(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone (PubChem CID 43162240) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
PubChem CID43162240
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
SMILESCCOc1cc(Cl)c(C(=O)C2CC2C)cc1OCC
InChIInChI=1S/C15H19ClO3/c1-4-18-13-7-11(15(17)10-6-9(10)3)12(16)8-14(13)19-5-2/h7-10H,4-6H2,1-3H3
InChIKeyGDVHTUZRXBQRGR-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
2-chloro-4,5-diethoxybenzamide
CID 82268164
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
CID 43340747
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
2-bromo-1-(2-chloro-4,5-diethoxyphenyl)butan-1-one
CID 63386249
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
(E)-3-(2-chloro-4,5-diethoxyphenyl)pent-2-enoic acid
CID 83959383
(2,5-dichloro-4-ethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176678
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone (CID 43162240) is (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone is CCOc1cc(Cl)c(C(=O)C2CC2C)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone?
The InChIKey is GDVHTUZRXBQRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-4-18-13-7-11(15(17)10-6-9(10)3)12(16)8-14(13)19-5-2/h7-10H,4-6H2,1-3H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone?
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone has a molecular weight of 282.77 g/mol, XLogP of 3.98, 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)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 43162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).