10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine

C18H21NO2 — CID 23849194

IUPAC10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine
SMILESCOc1cc(C(C)C)cc2c1-c1cnccc1C(C)(C)O2
InChIInChI=1S/C18H21NO2/c1-11(2)12-8-15(20-5)17-13-10-19-7-6-14(13)18(3,4)21-16(17)9-12/h6-11H,1-5H3
InChIKeyINYMUYDLTSVSPG-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.51
Rot. Bonds2

About 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine

10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine (PubChem CID 23849194) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine.

Molecular Properties

Compound Name10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine
PubChem CID23849194
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine
SMILESCOc1cc(C(C)C)cc2c1-c1cnccc1C(C)(C)O2
InChIInChI=1S/C18H21NO2/c1-11(2)12-8-15(20-5)17-13-10-19-7-6-14(13)18(3,4)21-16(17)9-12/h6-11H,1-5H3
InChIKeyINYMUYDLTSVSPG-UHFFFAOYSA-N
XLogP4.51
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine?
The IUPAC name of 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine (CID 23849194) is 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine.
What is the SMILES notation for 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine?
The canonical SMILES for 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine is COc1cc(C(C)C)cc2c1-c1cnccc1C(C)(C)O2.
What is the InChIKey of 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine?
The InChIKey is INYMUYDLTSVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)12-8-15(20-5)17-13-10-19-7-6-14(13)18(3,4)21-16(17)9-12/h6-11H,1-5H3.
What are the key properties of 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine?
10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine has a molecular weight of 283.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridine is sourced from PubChem (CID 23849194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).