5'-phenylspiro[1,3-dioxolane-2,3'-indole]

C16H13NO2 — CID 151550167

IUPAC5'-phenylspiro[1,3-dioxolane-2,3'-indole]
SMILESC1=Nc2ccc(-c3ccccc3)cc2C12OCCO2
InChIInChI=1S/C16H13NO2/c1-2-4-12(5-3-1)13-6-7-15-14(10-13)16(11-17-15)18-8-9-19-16/h1-7,10-11H,8-9H2
InChIKeyQAHWFABGPNLCHW-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.27
Rot. Bonds1

About 5'-phenylspiro[1,3-dioxolane-2,3'-indole]

5'-phenylspiro[1,3-dioxolane-2,3'-indole] (PubChem CID 151550167) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5'-phenylspiro[1,3-dioxolane-2,3'-indole].

Molecular Properties

Compound Name5'-phenylspiro[1,3-dioxolane-2,3'-indole]
PubChem CID151550167
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name5'-phenylspiro[1,3-dioxolane-2,3'-indole]
SMILESC1=Nc2ccc(-c3ccccc3)cc2C12OCCO2
InChIInChI=1S/C16H13NO2/c1-2-4-12(5-3-1)13-6-7-15-14(10-13)16(11-17-15)18-8-9-19-16/h1-7,10-11H,8-9H2
InChIKeyQAHWFABGPNLCHW-UHFFFAOYSA-N
XLogP3.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1,3-dioxole-2,3'-indole]-5'-amine
CID 151258718
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,1'-biphenyl;hydrofluoride
CID 67516975
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine
CID 141492904
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
7-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 139015043
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615

Frequently Asked Questions

What is the IUPAC name of 5'-phenylspiro[1,3-dioxolane-2,3'-indole]?
The IUPAC name of 5'-phenylspiro[1,3-dioxolane-2,3'-indole] (CID 151550167) is 5'-phenylspiro[1,3-dioxolane-2,3'-indole].
What is the SMILES notation for 5'-phenylspiro[1,3-dioxolane-2,3'-indole]?
The canonical SMILES for 5'-phenylspiro[1,3-dioxolane-2,3'-indole] is C1=Nc2ccc(-c3ccccc3)cc2C12OCCO2.
What is the InChIKey of 5'-phenylspiro[1,3-dioxolane-2,3'-indole]?
The InChIKey is QAHWFABGPNLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-2-4-12(5-3-1)13-6-7-15-14(10-13)16(11-17-15)18-8-9-19-16/h1-7,10-11H,8-9H2.
What are the key properties of 5'-phenylspiro[1,3-dioxolane-2,3'-indole]?
5'-phenylspiro[1,3-dioxolane-2,3'-indole] has a molecular weight of 251.29 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-phenylspiro[1,3-dioxolane-2,3'-indole] is sourced from PubChem (CID 151550167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).