5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride

C22H30ClNO2 — CID 44537277

IUPAC5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride
SMILESCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-5-6-7-8-9-15(2)16-12-19(24)21-17-14-23-11-10-18(17)22(3,4)25-20(21)13-16;/h10-15,24H,5-9H2,1-4H3;1H
InChIKeyMDDXVQOGPNYPNW-UHFFFAOYSA-N
MW375.94 g/mol
LogP6.58
Rot. Bonds6

About 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride

5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride (PubChem CID 44537277) has the molecular formula C22H30ClNO2 and a molecular weight of 375.94 g/mol. Its IUPAC name is 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride
PubChem CID44537277
Molecular FormulaC22H30ClNO2
Molecular Weight375.94 g/mol
Exact Mass375.20
IUPAC Name5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride
SMILESCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-5-6-7-8-9-15(2)16-12-19(24)21-17-14-23-11-10-18(17)22(3,4)25-20(21)13-16;/h10-15,24H,5-9H2,1-4H3;1H
InChIKeyMDDXVQOGPNYPNW-UHFFFAOYSA-N
XLogP6.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.94
LogP ≤ 56.58
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-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
The IUPAC name of 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride (CID 44537277) is 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
The canonical SMILES for 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride is CCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl.
What is the InChIKey of 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
The InChIKey is MDDXVQOGPNYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.ClH/c1-5-6-7-8-9-15(2)16-12-19(24)21-17-14-23-11-10-18(17)22(3,4)25-20(21)13-16;/h10-15,24H,5-9H2,1-4H3;1H.
What are the key properties of 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride?
5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-octan-2-ylchromeno[4,3-c]pyridin-10-ol;hydrochloride is sourced from PubChem (CID 44537277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).