methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate

C18H17ClO3 — CID 124637359

IUPACmethyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2C[C@H]2c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C18H17ClO3/c1-21-13-7-8-14(17(19)9-13)16-10-15(16)11-3-5-12(6-4-11)18(20)22-2/h3-9,15-16H,10H2,1-2H3/t15-,16-/m0/s1
InChIKeyVIVGSRDJJBDFHB-HOTGVXAUSA-N
MW316.78 g/mol
LogP4.41
Rot. Bonds4

About methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate

methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate (PubChem CID 124637359) has the molecular formula C18H17ClO3 and a molecular weight of 316.78 g/mol. Its IUPAC name is methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate
PubChem CID124637359
Molecular FormulaC18H17ClO3
Molecular Weight316.78 g/mol
Exact Mass316.09
IUPAC Namemethyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2C[C@H]2c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C18H17ClO3/c1-21-13-7-8-14(17(19)9-13)16-10-15(16)11-3-5-12(6-4-11)18(20)22-2/h3-9,15-16H,10H2,1-2H3/t15-,16-/m0/s1
InChIKeyVIVGSRDJJBDFHB-HOTGVXAUSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate?
The IUPAC name of methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate (CID 124637359) is methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate.
What is the SMILES notation for methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate?
The canonical SMILES for methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate is COC(=O)c1ccc([C@@H]2C[C@H]2c2ccc(OC)cc2Cl)cc1.
What is the InChIKey of methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate?
The InChIKey is VIVGSRDJJBDFHB-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H17ClO3/c1-21-13-7-8-14(17(19)9-13)16-10-15(16)11-3-5-12(6-4-11)18(20)22-2/h3-9,15-16H,10H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate?
methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate has a molecular weight of 316.78 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R,2R)-2-(2-chloro-4-methoxyphenyl)cyclopropyl]benzoate is sourced from PubChem (CID 124637359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).