2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]

C12H13ClO — CID 130840671

IUPAC2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]
SMILESClCC1CC12COc1ccccc1C2
InChIInChI=1S/C12H13ClO/c13-7-10-6-12(10)5-9-3-1-2-4-11(9)14-8-12/h1-4,10H,5-8H2
InChIKeyRGGGNOWBGAJNSF-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.87
Rot. Bonds1

About 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]

2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane] (PubChem CID 130840671) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane].

Molecular Properties

Compound Name2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]
PubChem CID130840671
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]
SMILESClCC1CC12COc1ccccc1C2
InChIInChI=1S/C12H13ClO/c13-7-10-6-12(10)5-9-3-1-2-4-11(9)14-8-12/h1-4,10H,5-8H2
InChIKeyRGGGNOWBGAJNSF-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-2,4-dihydrochromene-3-carbonitrile
CID 83261180
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
3-benzyl-2,4-dihydrochromen-3-amine
CID 65422673
3-[(E)-3-chloroprop-2-enyl]-2,4-dihydrochromene-3-carboxylic acid
CID 107902547
[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine
CID 82934859
3-ethyl-2,4-dihydrochromene-3-carbonitrile
CID 65409375
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
CID 11148036
7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
CID 85416076
spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 15187048

Frequently Asked Questions

What is the IUPAC name of 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]?
The IUPAC name of 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane] (CID 130840671) is 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane].
What is the SMILES notation for 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]?
The canonical SMILES for 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane] is ClCC1CC12COc1ccccc1C2.
What is the InChIKey of 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]?
The InChIKey is RGGGNOWBGAJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-7-10-6-12(10)5-9-3-1-2-4-11(9)14-8-12/h1-4,10H,5-8H2.
What are the key properties of 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]?
2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane] has a molecular weight of 208.69 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane] is sourced from PubChem (CID 130840671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).