3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane

C11H11ClO2 — CID 56926843

IUPAC3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
SMILESClc1cccc(C2OOC23CCC3)c1
InChIInChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)10-11(14-13-10)5-2-6-11/h1,3-4,7,10H,2,5-6H2
InChIKeyAMJYMSFRKUQNPL-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.27
Rot. Bonds1

About 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane

3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane (PubChem CID 56926843) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
PubChem CID56926843
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
SMILESClc1cccc(C2OOC23CCC3)c1
InChIInChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)10-11(14-13-10)5-2-6-11/h1,3-4,7,10H,2,5-6H2
InChIKeyAMJYMSFRKUQNPL-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
CID 56927325
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane
CID 71372807
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
CID 131579141
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429876
1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65117012

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
The IUPAC name of 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane (CID 56926843) is 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane.
What is the SMILES notation for 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
The canonical SMILES for 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane is Clc1cccc(C2OOC23CCC3)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
The InChIKey is AMJYMSFRKUQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)10-11(14-13-10)5-2-6-11/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane has a molecular weight of 210.66 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane is sourced from PubChem (CID 56926843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).