trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride

C10H9ClO — CID 13656

IUPACtrans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKeySODZBMGDYKEZJG-DTWKUNHWSA-N
MW180.63 g/mol
LogP2.56
Rot. Bonds2

About trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride

trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride (PubChem CID 13656) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
PubChem CID13656
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Nametrans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKeySODZBMGDYKEZJG-DTWKUNHWSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.56
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

Phenylacetyl chloride
CID 7679
Benzenepropanoyl chloride
CID 64801
2902-98-9
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2,2-Diphenylacetyl chloride
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Chloro(phenyl)acetyl chloride
CID 102902
3-(4-Fluorophenyl)-2-methylpropionylchloride
CID 24264941
2-Chloro-2-phenylpropanal
CID 353469
2-Phenylbutyryl chloride
CID 98173
4-Isopropylbenzoyl chloride
CID 2759486
1-Cyclopropyl-2-phenylethan-1-one
CID 549679
Hydratropoyl chloride
CID 2760403
2-(4-Methylphenyl)acetyl chloride
CID 2760634

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride (CID 13656) is trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride is O=C(Cl)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride?
The InChIKey is SODZBMGDYKEZJG-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride?
trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride has a molecular weight of 180.63 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 13656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).