1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole

C18H17NO2 — CID 2057313

IUPAC1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole
SMILESc1ccc(C2(Cn3ccc4ccccc43)OCCO2)cc1
InChIInChI=1S/C18H17NO2/c1-2-7-16(8-3-1)18(20-12-13-21-18)14-19-11-10-15-6-4-5-9-17(15)19/h1-11H,12-14H2
InChIKeyQRCFBEDWMBJLQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole

1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole (PubChem CID 2057313) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole
PubChem CID2057313
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole
SMILESc1ccc(C2(Cn3ccc4ccccc43)OCCO2)cc1
InChIInChI=1S/C18H17NO2/c1-2-7-16(8-3-1)18(20-12-13-21-18)14-19-11-10-15-6-4-5-9-17(15)19/h1-11H,12-14H2
InChIKeyQRCFBEDWMBJLQU-UHFFFAOYSA-N
XLogP3.54
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole?
The IUPAC name of 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole (CID 2057313) is 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole.
What is the SMILES notation for 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole?
The canonical SMILES for 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole is c1ccc(C2(Cn3ccc4ccccc43)OCCO2)cc1.
What is the InChIKey of 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole?
The InChIKey is QRCFBEDWMBJLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-7-16(8-3-1)18(20-12-13-21-18)14-19-11-10-15-6-4-5-9-17(15)19/h1-11H,12-14H2.
What are the key properties of 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole?
1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole has a molecular weight of 279.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]indole is sourced from PubChem (CID 2057313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).