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

C23H32ClNO2 — CID 135624410

IUPAC5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride
SMILESCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-6-7-8-9-15(2)16(3)17-12-20(25)22-18-10-11-24-14-19(18)23(4,5)26-21(22)13-17;/h10-16,25H,6-9H2,1-5H3;1H
InChIKeyCNINHVIJBRVLNE-UHFFFAOYSA-N
MW389.97 g/mol
LogP6.82
Rot. Bonds6

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

5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride (PubChem CID 135624410) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride
PubChem CID135624410
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride
SMILESCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-6-7-8-9-15(2)16(3)17-12-20(25)22-18-10-11-24-14-19(18)23(4,5)26-21(22)13-17;/h10-16,25H,6-9H2,1-5H3;1H
InChIKeyCNINHVIJBRVLNE-UHFFFAOYSA-N
XLogP6.82
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 ≤ 56.82
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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Related Compounds

4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
2,2-Dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol
CID 44522939
2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-2-yl-3H-chromene-4,5-diol
CID 44523051
US9682910, 4-((2-Methoxypyridin-3-yl)methyl)benzene-1,3-diol (8)
CID 44611571
AH 6696
CID 192830
7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol
CID 71885
2,2-dimethyl-7-pentyl-4-[1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol;hydrate;hydrochloride
CID 44522652
2,2-dimethyl-7-pentyl-4-[1-(quinolin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol;hydrate;hydrochloride
CID 44522654
4-ethyl-5-hydroxy-7-octan-2-yl-4-pyridin-2-yl-3H-chromen-2-one;hydrochloride
CID 44523006
[2,2-Dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-yl] carbamate
CID 44523171
5,5-Dimethyl-8-(2-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol;hydrochloride
CID 44537276

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride?
The IUPAC name of 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride (CID 135624410) is 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride?
The canonical SMILES for 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride is CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2.Cl.
What is the InChIKey of 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride?
The InChIKey is CNINHVIJBRVLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-6-7-8-9-15(2)16(3)17-12-20(25)22-18-10-11-24-14-19(18)23(4,5)26-21(22)13-17;/h10-16,25H,6-9H2,1-5H3;1H.
What are the key properties of 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride?
5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 6.82, 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-(3-methyloctan-2-yl)chromeno[3,4-c]pyridin-10-ol;hydrochloride is sourced from PubChem (CID 135624410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).