2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]

C16H16ClNO2 — CID 163687032

IUPAC2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]
SMILESClc1ccccc1C1=NC2=C(C1)CC1(CC2)OCCO1
InChIInChI=1S/C16H16ClNO2/c17-13-4-2-1-3-12(13)15-9-11-10-16(19-7-8-20-16)6-5-14(11)18-15/h1-4H,5-10H2
InChIKeyBZEODIYZKMXRED-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.71
Rot. Bonds1

About 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]

2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole] (PubChem CID 163687032) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole].

Molecular Properties

Compound Name2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]
PubChem CID163687032
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]
SMILESClc1ccccc1C1=NC2=C(C1)CC1(CC2)OCCO1
InChIInChI=1S/C16H16ClNO2/c17-13-4-2-1-3-12(13)15-9-11-10-16(19-7-8-20-16)6-5-14(11)18-15/h1-4H,5-10H2
InChIKeyBZEODIYZKMXRED-UHFFFAOYSA-N
XLogP3.71
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909637
1-[(3S)-3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 93227625
[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol
CID 178148741
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110391259
5-(2-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 11680439
spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione
CID 13383449
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]
CID 134863746
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzonitrile
CID 21187680
CID 163687031
CID 163687031
6-(2-chlorophenyl)-5,5-dimethyl-3,4-dihydro-2H-pyridine;6-(2-chlorophenyl)-2,3,4,5-tetrahydropyridine
CID 158501500

Frequently Asked Questions

What is the IUPAC name of 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]?
The IUPAC name of 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole] (CID 163687032) is 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole].
What is the SMILES notation for 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]?
The canonical SMILES for 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole] is Clc1ccccc1C1=NC2=C(C1)CC1(CC2)OCCO1.
What is the InChIKey of 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]?
The InChIKey is BZEODIYZKMXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-4-2-1-3-12(13)15-9-11-10-16(19-7-8-20-16)6-5-14(11)18-15/h1-4H,5-10H2.
What are the key properties of 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]?
2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole] has a molecular weight of 289.76 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole] is sourced from PubChem (CID 163687032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).