methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate

C18H18O2 — CID 102081874

IUPACmethyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H18O2/c1-13-16(14-9-5-3-6-10-14)18(13,17(19)20-2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-,18-/m1/s1
InChIKeyNSKIATFEVJYUED-MZMPZRCHSA-N
MW266.34 g/mol
LogP3.53
Rot. Bonds3

About methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate

methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate (PubChem CID 102081874) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
PubChem CID102081874
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H18O2/c1-13-16(14-9-5-3-6-10-14)18(13,17(19)20-2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-,18-/m1/s1
InChIKeyNSKIATFEVJYUED-MZMPZRCHSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate (CID 102081874) is methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate is COC(=O)[C@@]1(c2ccccc2)[C@H](C)[C@@H]1c1ccccc1.
What is the InChIKey of methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate?
The InChIKey is NSKIATFEVJYUED-MZMPZRCHSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-16(14-9-5-3-6-10-14)18(13,17(19)20-2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-,18-/m1/s1.
What are the key properties of methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate?
methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102081874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).