[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone

C11H10Cl2O — CID 7019393

IUPAC[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
SMILESC[C@@H]1[C@H](C(=O)c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C11H10Cl2O/c1-7-9(11(7,12)13)10(14)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m1/s1
InChIKeyUKDORDFTBJYAHE-VXNVDRBHSA-N
MW229.11 g/mol
LogP3.31
Rot. Bonds2

About [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone

[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone (PubChem CID 7019393) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
PubChem CID7019393
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
SMILESC[C@@H]1[C@H](C(=O)c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C11H10Cl2O/c1-7-9(11(7,12)13)10(14)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m1/s1
InChIKeyUKDORDFTBJYAHE-VXNVDRBHSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
CID 20723879
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
(2,4-dibenzoyl-5-methyl-5-phenyloxolan-3-yl)-phenylmethanone
CID 571414
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
[(2S)-1-benzyl-3,3-dimethylaziridin-2-yl]-phenylmethanone
CID 101178309
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270
trans-diethyl (2R,3S)-2-benzoyl-3-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 101491951
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone?
The IUPAC name of [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone (CID 7019393) is [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone?
The canonical SMILES for [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone is C[C@@H]1[C@H](C(=O)c2ccccc2)C1(Cl)Cl.
What is the InChIKey of [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone?
The InChIKey is UKDORDFTBJYAHE-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-7-9(11(7,12)13)10(14)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m1/s1.
What are the key properties of [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone?
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone has a molecular weight of 229.11 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone is sourced from PubChem (CID 7019393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).