cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate

C12H14O2 — CID 99991979

IUPACcis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-14-12(13)11-8-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m0/s1
InChIKeyHYKSBYAKIAMERH-QWRGUYRKSA-N
MW190.24 g/mol
LogP2.35
Rot. Bonds2

About cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate

cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate (PubChem CID 99991979) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
PubChem CID99991979
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-14-12(13)11-8-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m0/s1
InChIKeyHYKSBYAKIAMERH-QWRGUYRKSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
phenyl 2-phenylcyclobutane-1-carboxylate
CID 143786245
methyl 1-oxido-4-phenylpiperidine-3-carboxylate
CID 87687004
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
cis-methyl (1R,2S)-5,5-difluoro-2-phenylcyclohexane-1-carboxylate
CID 156900270
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
methyl (1R,3R,4S)-4-hydroxy-3-phenylcyclohexane-1-carboxylate
CID 15806625
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
CID 145368316
2-phenylcyclobutane-1-carboxamide
CID 132565333
methyl 2-[4-[methyl(2-oxopropyl)amino]phenyl]cyclobutane-1-carboxylate
CID 157389788
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate (CID 99991979) is cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate is COC(=O)[C@H]1CC[C@H]1c1ccccc1.
What is the InChIKey of cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate?
The InChIKey is HYKSBYAKIAMERH-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12(13)11-8-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate?
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate has a molecular weight of 190.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 99991979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).