5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride

C19H24ClNO2 — CID 44537279

IUPAC5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride
SMILESCCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-4-5-6-7-13-10-16(21)18-14-12-20-9-8-15(14)19(2,3)22-17(18)11-13;/h8-12,21H,4-7H2,1-3H3;1H
InChIKeyOGWQILSTOVWNDE-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.24
Rot. Bonds4

About 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride

5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride (PubChem CID 44537279) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride
PubChem CID44537279
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride
SMILESCCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-4-5-6-7-13-10-16(21)18-14-12-20-9-8-15(14)19(2,3)22-17(18)11-13;/h8-12,21H,4-7H2,1-3H3;1H
InChIKeyOGWQILSTOVWNDE-UHFFFAOYSA-N
XLogP5.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
The IUPAC name of 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride (CID 44537279) is 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
The canonical SMILES for 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride is CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl.
What is the InChIKey of 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
The InChIKey is OGWQILSTOVWNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-4-5-6-7-13-10-16(21)18-14-12-20-9-8-15(14)19(2,3)22-17(18)11-13;/h8-12,21H,4-7H2,1-3H3;1H.
What are the key properties of 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-pentylchromeno[4,3-c]pyridin-10-ol;hydrochloride is sourced from PubChem (CID 44537279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).