methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate

C11H10Cl2O2 — CID 7127361

IUPACmethyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C11H10Cl2O2/c1-15-9(14)10(7-11(10,12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3/t10-/m0/s1
InChIKeyPRDLECAGOIAWMW-JTQLQIEISA-N
MW245.10 g/mol
LogP2.67
Rot. Bonds2

About methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate

methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate (PubChem CID 7127361) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
PubChem CID7127361
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Namemethyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C11H10Cl2O2/c1-15-9(14)10(7-11(10,12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3/t10-/m0/s1
InChIKeyPRDLECAGOIAWMW-JTQLQIEISA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
cis-methyl (1S,2S)-2-(4-nitrophenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031531
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 2832401
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
[(1S)-1,2,2-trichlorocyclopropyl]benzene
CID 95239829

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate (CID 7127361) is methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate is COC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate?
The InChIKey is PRDLECAGOIAWMW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-15-9(14)10(7-11(10,12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3/t10-/m0/s1.
What are the key properties of methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate?
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate has a molecular weight of 245.10 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 7127361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).