8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol

C21H31NO2 — CID 3137700

IUPAC8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol
SMILESCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1
InChIInChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3
InChIKeyCXLQUCPRQKBNSP-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.78
Rot. Bonds5

About 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol

8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol (PubChem CID 3137700) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol.

Molecular Properties

Compound Name8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol
PubChem CID3137700
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol
SMILESCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1
InChIInChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3
InChIKeyCXLQUCPRQKBNSP-UHFFFAOYSA-N
XLogP4.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.78
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 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol?
The IUPAC name of 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol (CID 3137700) is 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol.
What is the SMILES notation for 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol?
The canonical SMILES for 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol is CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1.
What is the InChIKey of 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol?
The InChIKey is CXLQUCPRQKBNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3.
What are the key properties of 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol?
8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol has a molecular weight of 329.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-3,5,5-trimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-10-ol is sourced from PubChem (CID 3137700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).