2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile

C16H14N2O2 — CID 70805416

IUPAC2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile
SMILESCOc1ccc2c(c1)NC(c1cccc(O)c1)C2C#N
InChIInChI=1S/C16H14N2O2/c1-20-12-5-6-13-14(9-17)16(18-15(13)8-12)10-3-2-4-11(19)7-10/h2-8,14,16,18-19H,1H3
InChIKeyXFISHPCHJZTKLQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.17
Rot. Bonds2

About 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile

2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile (PubChem CID 70805416) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile
PubChem CID70805416
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile
SMILESCOc1ccc2c(c1)NC(c1cccc(O)c1)C2C#N
InChIInChI=1S/C16H14N2O2/c1-20-12-5-6-13-14(9-17)16(18-15(13)8-12)10-3-2-4-11(19)7-10/h2-8,14,16,18-19H,1H3
InChIKeyXFISHPCHJZTKLQ-UHFFFAOYSA-N
XLogP3.17
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile?
The IUPAC name of 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile (CID 70805416) is 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile is COc1ccc2c(c1)NC(c1cccc(O)c1)C2C#N.
What is the InChIKey of 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile?
The InChIKey is XFISHPCHJZTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-5-6-13-14(9-17)16(18-15(13)8-12)10-3-2-4-11(19)7-10/h2-8,14,16,18-19H,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile?
2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-6-methoxy-2,3-dihydro-1H-indole-3-carbonitrile is sourced from PubChem (CID 70805416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).