1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]

C15H16O2 — CID 168870604

IUPAC1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
SMILESC1=COC2(CCC3(c4ccccc4)CC3C2)O1
InChIInChI=1S/C15H16O2/c1-2-4-12(5-3-1)14-6-7-15(11-13(14)10-14)16-8-9-17-15/h1-5,8-9,13H,6-7,10-11H2
InChIKeySUJIDHIAXXWHSW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.34
Rot. Bonds1

About 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]

1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] (PubChem CID 168870604) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane].

Molecular Properties

Compound Name1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
PubChem CID168870604
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
SMILESC1=COC2(CCC3(c4ccccc4)CC3C2)O1
InChIInChI=1S/C15H16O2/c1-2-4-12(5-3-1)14-6-7-15(11-13(14)10-14)16-8-9-17-15/h1-5,8-9,13H,6-7,10-11H2
InChIKeySUJIDHIAXXWHSW-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylbicyclo[4.1.0]heptane
CID 582374
4-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylbenzonitrile
CID 162782443
2-(3-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 141072002
(1S,5S)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 135055522
(1R,5R)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 102073453
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
4-(1-phenylcyclopentyl)piperidine
CID 83911457
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
2,4-dimethyl-2-phenyl-3,4-dihydropyran
CID 86735403
(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337

Frequently Asked Questions

What is the IUPAC name of 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
The IUPAC name of 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] (CID 168870604) is 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane].
What is the SMILES notation for 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
The canonical SMILES for 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] is C1=COC2(CCC3(c4ccccc4)CC3C2)O1.
What is the InChIKey of 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
The InChIKey is SUJIDHIAXXWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-4-12(5-3-1)14-6-7-15(11-13(14)10-14)16-8-9-17-15/h1-5,8-9,13H,6-7,10-11H2.
What are the key properties of 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] has a molecular weight of 228.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] is sourced from PubChem (CID 168870604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).