5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol

C23H35NO2 — CID 70563792

IUPAC5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
SMILESCCCCCC(C)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1
InChIInChI=1S/C23H35NO2/c1-5-6-7-8-16(2)9-10-17-13-20(25)22-18-15-24-12-11-19(18)23(3,4)26-21(22)14-17/h13-14,16,24-25H,5-12,15H2,1-4H3
InChIKeyJWNOBPHCJSHCSV-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.46
Rot. Bonds7

About 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol

5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol (PubChem CID 70563792) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol.

Molecular Properties

Compound Name5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
PubChem CID70563792
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
SMILESCCCCCC(C)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1
InChIInChI=1S/C23H35NO2/c1-5-6-7-8-16(2)9-10-17-13-20(25)22-18-15-24-12-11-19(18)23(3,4)26-21(22)14-17/h13-14,16,24-25H,5-12,15H2,1-4H3
InChIKeyJWNOBPHCJSHCSV-UHFFFAOYSA-N
XLogP5.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol with MolForge

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Related Compounds

8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
CID 90678643
(9R)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-9-carboxylic acid
CID 170915590
(8S,9R)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,8,9-triol
CID 172516483
6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,10-diol
CID 145320341
8-heptan-2-yl-N',10-dihydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridine-2-carboximidamide
CID 54128241
9-ethyl-6,6-dimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
CID 154377540
5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
CID 22973435
(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
CID 155396490
7-heptan-2-yl-4,4-dimethyl-1,2-dihydrothieno[2,3-c]chromen-9-ol
CID 21433925
(9R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol
CID 154790906
9-[5-(5-hydroxy-2-methyl-7-pentyl-3,4-dihydrochromen-2-yl)-4-methyl-3-propan-2-ylhexyl]-6,6-dimethyl-3-propylbenzo[c]chromen-1-ol
CID 166826208
(9R,10R)-3-butyl-10-ethoxy-6,6,9-trimethyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol
CID 168765922

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
The IUPAC name of 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol (CID 70563792) is 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol.
What is the SMILES notation for 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
The canonical SMILES for 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol is CCCCCC(C)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1.
What is the InChIKey of 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
The InChIKey is JWNOBPHCJSHCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-5-6-7-8-16(2)9-10-17-13-20(25)22-18-15-24-12-11-19(18)23(3,4)26-21(22)14-17/h13-14,16,24-25H,5-12,15H2,1-4H3.
What are the key properties of 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol?
5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol has a molecular weight of 357.54 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-(3-methyloctyl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol is sourced from PubChem (CID 70563792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).