methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate

C23H20O2 — CID 100975897

IUPACmethyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-25-21(24)23(20-15-9-4-10-16-20)17-22(23,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3/t23-/m1/s1
InChIKeySNRZBUVEKYVBAU-HSZRJFAPSA-N
MW328.41 g/mol
LogP4.49
Rot. Bonds4

About methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate

methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate (PubChem CID 100975897) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
PubChem CID100975897
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Namemethyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-25-21(24)23(20-15-9-4-10-16-20)17-22(23,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3/t23-/m1/s1
InChIKeySNRZBUVEKYVBAU-HSZRJFAPSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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 (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)
CID 162229405
methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
CID 14434450
methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
CID 137234398
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate (CID 100975897) is methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate is COC(=O)[C@]1(c2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate?
The InChIKey is SNRZBUVEKYVBAU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20O2/c1-25-21(24)23(20-15-9-4-10-16-20)17-22(23,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3/t23-/m1/s1.
What are the key properties of methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate?
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 100975897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).