benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate

C23H20O2 — CID 177499812

IUPACbenzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c24-22(25-17-18-10-4-1-5-11-18)21-16-23(21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKeyMFKGZYGGHLCCPN-NRFANRHFSA-N
MW328.41 g/mol
LogP4.74
Rot. Bonds5

About benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate

benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate (PubChem CID 177499812) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
PubChem CID177499812
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Namebenzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c24-22(25-17-18-10-4-1-5-11-18)21-16-23(21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKeyMFKGZYGGHLCCPN-NRFANRHFSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
2-piperidin-1-ylethyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
CID 76961064
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
1-amino-2-phenylmethoxycarbonylcyclodecane-1-carboxylic acid
CID 170988150
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
dibenzyl (1S)-1-isocyanatocyclopropane-1,2-dicarboxylate
CID 142512643
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate
CID 67989155
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104

Frequently Asked Questions

What is the IUPAC name of benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate?
The IUPAC name of benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate (CID 177499812) is benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate is O=C(OCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate?
The InChIKey is MFKGZYGGHLCCPN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20O2/c24-22(25-17-18-10-4-1-5-11-18)21-16-23(21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1.
What are the key properties of benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate?
benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 177499812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).