methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate

C11H10Cl2O2 — CID 174888993

IUPACmethyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O2/c1-15-11(14)10-5-9(10)6-2-7(12)4-8(13)3-6/h2-4,9-10H,5H2,1H3
InChIKeyVELGKDMMSWQQGO-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.27
Rot. Bonds2

About methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate

methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate (PubChem CID 174888993) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
PubChem CID174888993
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Namemethyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O2/c1-15-11(14)10-5-9(10)6-2-7(12)4-8(13)3-6/h2-4,9-10H,5H2,1H3
InChIKeyVELGKDMMSWQQGO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate (CID 174888993) is methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate is COC(=O)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is VELGKDMMSWQQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-15-11(14)10-5-9(10)6-2-7(12)4-8(13)3-6/h2-4,9-10H,5H2,1H3.
What are the key properties of methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate?
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 245.10 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 174888993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).