trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride

C15H19ClO — CID 54142165

IUPACtrans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride
SMILESCC(C)c1ccc([C@@H]2[C@@H](C(=O)Cl)C2(C)C)cc1
InChIInChI=1S/C15H19ClO/c1-9(2)10-5-7-11(8-6-10)12-13(14(16)17)15(12,3)4/h5-9,12-13H,1-4H3/t12-,13+/m1/s1
InChIKeyOBVTWFQHBZREIE-OLZOCXBDSA-N
MW250.77 g/mol
LogP4.32
Rot. Bonds3

About trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride

trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride (PubChem CID 54142165) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride
PubChem CID54142165
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Nametrans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride
SMILESCC(C)c1ccc([C@@H]2[C@@H](C(=O)Cl)C2(C)C)cc1
InChIInChI=1S/C15H19ClO/c1-9(2)10-5-7-11(8-6-10)12-13(14(16)17)15(12,3)4/h5-9,12-13H,1-4H3/t12-,13+/m1/s1
InChIKeyOBVTWFQHBZREIE-OLZOCXBDSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3R)-3-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 54500952
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
1-adamantyl-(4-propan-2-ylphenyl)methanone
CID 43625037
1-[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 20778842
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
CID 88830751
2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 816075

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride (CID 54142165) is trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride is CC(C)c1ccc([C@@H]2[C@@H](C(=O)Cl)C2(C)C)cc1.
What is the InChIKey of trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is OBVTWFQHBZREIE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19ClO/c1-9(2)10-5-7-11(8-6-10)12-13(14(16)17)15(12,3)4/h5-9,12-13H,1-4H3/t12-,13+/m1/s1.
What are the key properties of trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride?
trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 250.77 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 54142165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).