5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride

C23H32ClNO2 — CID 44537276

IUPAC5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-6-7-8-9-11-22(2,3)16-13-19(25)21-17-15-24-12-10-18(17)23(4,5)26-20(21)14-16;/h10,12-15,25H,6-9,11H2,1-5H3;1H
InChIKeyQMWQEYZMCQXNMV-UHFFFAOYSA-N
MW389.97 g/mol
LogP6.75
Rot. Bonds6

About 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride

5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride (PubChem CID 44537276) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride
PubChem CID44537276
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-6-7-8-9-11-22(2,3)16-13-19(25)21-17-15-24-12-10-18(17)23(4,5)26-20(21)14-16;/h10,12-15,25H,6-9,11H2,1-5H3;1H
InChIKeyQMWQEYZMCQXNMV-UHFFFAOYSA-N
XLogP6.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 56.75
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-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride?
The IUPAC name of 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride (CID 44537276) is 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride?
The canonical SMILES for 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride is CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2.Cl.
What is the InChIKey of 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride?
The InChIKey is QMWQEYZMCQXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-6-7-8-9-11-22(2,3)16-13-19(25)21-17-15-24-12-10-18(17)23(4,5)26-20(21)14-16;/h10,12-15,25H,6-9,11H2,1-5H3;1H.
What are the key properties of 5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride?
5,5-dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 6.75, 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-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride is sourced from PubChem (CID 44537276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).