4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile

C19H15NO3 — CID 21325038

IUPAC4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile
SMILESCC(C)Oc1ccccc1-c1cc(=O)c2cc(C#N)ccc2o1
InChIInChI=1S/C19H15NO3/c1-12(2)22-17-6-4-3-5-14(17)19-10-16(21)15-9-13(11-20)7-8-18(15)23-19/h3-10,12H,1-2H3
InChIKeyKKXDOKIQSTXPAD-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.12
Rot. Bonds3

About 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile

4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile (PubChem CID 21325038) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile.

Molecular Properties

Compound Name4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile
PubChem CID21325038
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile
SMILESCC(C)Oc1ccccc1-c1cc(=O)c2cc(C#N)ccc2o1
InChIInChI=1S/C19H15NO3/c1-12(2)22-17-6-4-3-5-14(17)19-10-16(21)15-9-13(11-20)7-8-18(15)23-19/h3-10,12H,1-2H3
InChIKeyKKXDOKIQSTXPAD-UHFFFAOYSA-N
XLogP4.12
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile?
The IUPAC name of 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile (CID 21325038) is 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile.
What is the SMILES notation for 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile?
The canonical SMILES for 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile is CC(C)Oc1ccccc1-c1cc(=O)c2cc(C#N)ccc2o1.
What is the InChIKey of 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile?
The InChIKey is KKXDOKIQSTXPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12(2)22-17-6-4-3-5-14(17)19-10-16(21)15-9-13(11-20)7-8-18(15)23-19/h3-10,12H,1-2H3.
What are the key properties of 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile?
4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile has a molecular weight of 305.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carbonitrile is sourced from PubChem (CID 21325038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).