cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate

C12H11O4- — CID 154728884

IUPACcis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1C[C@H]1C(=O)[O-]
InChIInChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/p-1/t9-,10+/m1/s1
InChIKeyPVARIGOXRLDYSP-ZJUUUORDSA-M
MW219.22 g/mol
LogP0.12
Rot. Bonds4

About cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate

cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate (PubChem CID 154728884) has the molecular formula C12H11O4- and a molecular weight of 219.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
PubChem CID154728884
Molecular FormulaC12H11O4-
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Namecis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1C[C@H]1C(=O)[O-]
InChIInChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/p-1/t9-,10+/m1/s1
InChIKeyPVARIGOXRLDYSP-ZJUUUORDSA-M
XLogP0.12
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
(1R,2R,3R,4R)-3-phenylmethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18389504
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 2-(1,1-difluoroethyl)cyclopropane-1-carboxylate
CID 175348269
dibenzyl bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 141428986
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl 3-(fluoromethyl)cyclobutane-1-carboxylate
CID 90205162
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
trans-benzyl (1S,2S)-2-phenacylcyclopropane-1-carboxylate
CID 101156160

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate (CID 154728884) is cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate is O=C(OCc1ccccc1)[C@H]1C[C@H]1C(=O)[O-].
What is the InChIKey of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate?
The InChIKey is PVARIGOXRLDYSP-ZJUUUORDSA-M. The full InChI is InChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/p-1/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate?
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate has a molecular weight of 219.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate is sourced from PubChem (CID 154728884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).