(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone

C13H15ClO — CID 130908835

IUPAC(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone
SMILESCCC1CC1C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H15ClO/c1-3-9-6-11(9)13(15)10-5-4-8(2)12(14)7-10/h4-5,7,9,11H,3,6H2,1-2H3
InChIKeyBUCOFJXDXJPXDM-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.88
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone

(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone (PubChem CID 130908835) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone
PubChem CID130908835
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone
SMILESCCC1CC1C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H15ClO/c1-3-9-6-11(9)13(15)10-5-4-8(2)12(14)7-10/h4-5,7,9,11H,3,6H2,1-2H3
InChIKeyBUCOFJXDXJPXDM-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone
CID 115565963
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
1-(aminomethyl)-2-(3-chloro-4-methylbenzoyl)cyclopropane-1-carboxylic acid
CID 135297135
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
3-chloro-4-methylbenzamide;ethane
CID 162191867
1-(3-chloro-4-methylphenyl)propane-1,2-dione
CID 82125872
(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone
CID 166317902
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
1-(3-chloro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 55162757

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone (CID 130908835) is (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone is CCC1CC1C(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone?
The InChIKey is BUCOFJXDXJPXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-3-9-6-11(9)13(15)10-5-4-8(2)12(14)7-10/h4-5,7,9,11H,3,6H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone?
(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone has a molecular weight of 222.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone is sourced from PubChem (CID 130908835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).