(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone

C14H17ClO — CID 107000808

IUPAC(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1cc(Cl)c(C(=O)C2CC2(C)C)cc1C
InChIInChI=1S/C14H17ClO/c1-8-5-10(12(15)6-9(8)2)13(16)11-7-14(11,3)4/h5-6,11H,7H2,1-4H3
InChIKeyBHSXHLAUCRWDRW-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.19
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone

(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000808) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000808
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1cc(Cl)c(C(=O)C2CC2(C)C)cc1C
InChIInChI=1S/C14H17ClO/c1-8-5-10(12(15)6-9(8)2)13(16)11-7-14(11,3)4/h5-6,11H,7H2,1-4H3
InChIKeyBHSXHLAUCRWDRW-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910
(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476290
(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107000721
(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000802
(2-chloro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 106865210
(2,5-dichloro-4-ethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176678
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115813985
(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
CID 130512079
(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000766

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone (CID 107000808) is (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone is Cc1cc(Cl)c(C(=O)C2CC2(C)C)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is BHSXHLAUCRWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c1-8-5-10(12(15)6-9(8)2)13(16)11-7-14(11,3)4/h5-6,11H,7H2,1-4H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 236.74 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).