methyl 2-phenylspiro[2.3]hexane-2-carboxylate

C14H16O2 — CID 134589125

IUPACmethyl 2-phenylspiro[2.3]hexane-2-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC12CCC2
InChIInChI=1S/C14H16O2/c1-16-12(15)14(10-13(14)8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyUYVOYZFCLZKGJZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-phenylspiro[2.3]hexane-2-carboxylate

methyl 2-phenylspiro[2.3]hexane-2-carboxylate (PubChem CID 134589125) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-phenylspiro[2.3]hexane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenylspiro[2.3]hexane-2-carboxylate
PubChem CID134589125
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namemethyl 2-phenylspiro[2.3]hexane-2-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC12CCC2
InChIInChI=1S/C14H16O2/c1-16-12(15)14(10-13(14)8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyUYVOYZFCLZKGJZ-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
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
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
cis-methyl (1S,2S)-2-(4-nitrophenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031531
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
CID 126449981
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
methyl 2-phenyloxolane-2-carboxylate
CID 164680656

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylspiro[2.3]hexane-2-carboxylate?
The IUPAC name of methyl 2-phenylspiro[2.3]hexane-2-carboxylate (CID 134589125) is methyl 2-phenylspiro[2.3]hexane-2-carboxylate.
What is the SMILES notation for methyl 2-phenylspiro[2.3]hexane-2-carboxylate?
The canonical SMILES for methyl 2-phenylspiro[2.3]hexane-2-carboxylate is COC(=O)C1(c2ccccc2)CC12CCC2.
What is the InChIKey of methyl 2-phenylspiro[2.3]hexane-2-carboxylate?
The InChIKey is UYVOYZFCLZKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-12(15)14(10-13(14)8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of methyl 2-phenylspiro[2.3]hexane-2-carboxylate?
methyl 2-phenylspiro[2.3]hexane-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylspiro[2.3]hexane-2-carboxylate is sourced from PubChem (CID 134589125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).