[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone

C19H18O2 — CID 12032685

IUPAC[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18O2/c1-12-3-7-14(8-4-12)18(20)16-11-17(16)19(21)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3/t16-,17-/m1/s1
InChIKeyDWSIUTXVMJXICI-IAGOWNOFSA-N
MW278.35 g/mol
LogP4.01
Rot. Bonds4

About [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone

[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone (PubChem CID 12032685) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
PubChem CID12032685
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18O2/c1-12-3-7-14(8-4-12)18(20)16-11-17(16)19(21)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3/t16-,17-/m1/s1
InChIKeyDWSIUTXVMJXICI-IAGOWNOFSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-methyl (1S,2S)-2-(4-methylbenzoyl)cyclopropane-1-carboxylate
CID 99992932
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
CID 73098803
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
1-azabicyclo[2.2.2]octan-3-yl-(4-methylphenyl)methanone chloride
CID 53312619
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
CID 121222554
N-[(Z)-3-[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-3-oxo-1-phenylprop-1-enyl]benzenesulfonamide
CID 164523754

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone?
The IUPAC name of [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone (CID 12032685) is [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone?
The canonical SMILES for [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone?
The InChIKey is DWSIUTXVMJXICI-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18O2/c1-12-3-7-14(8-4-12)18(20)16-11-17(16)19(21)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone?
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 12032685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).