(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C16H21ClO — CID 66476290

IUPAC(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2C(C)(C)C2(C)C)c(C)cc1Cl
InChIInChI=1S/C16H21ClO/c1-9-8-12(17)10(2)7-11(9)13(18)14-15(3,4)16(14,5)6/h7-8,14H,1-6H3
InChIKeyOSIDZNCEEXRIKE-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.82
Rot. Bonds2

About (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66476290) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66476290
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2C(C)(C)C2(C)C)c(C)cc1Cl
InChIInChI=1S/C16H21ClO/c1-9-8-12(17)10(2)7-11(9)13(18)14-15(3,4)16(14,5)6/h7-8,14H,1-6H3
InChIKeyOSIDZNCEEXRIKE-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000808
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
2,4-dichloro-5-methylbenzoic acid;ethane
CID 145266813
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
5-chloro-2,4-dimethylbenzoyl chloride
CID 82633624
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
5-chloro-2,4-dimethylbenzamide
CID 82551019
(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910
(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114819640

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66476290) is (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is Cc1cc(C(=O)C2C(C)(C)C2(C)C)c(C)cc1Cl.
What is the InChIKey of (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is OSIDZNCEEXRIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-9-8-12(17)10(2)7-11(9)13(18)14-15(3,4)16(14,5)6/h7-8,14H,1-6H3.
What are the key properties of (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 264.80 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66476290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).