3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol

C18H24BrNO2 — CID 143265888

IUPAC3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol
SMILESCCc1cc(Br)cc2c3c([nH]c12)C(CC)(CCCO)OCC3
InChIInChI=1S/C18H24BrNO2/c1-3-12-10-13(19)11-15-14-6-9-22-18(4-2,7-5-8-21)17(14)20-16(12)15/h10-11,20-21H,3-9H2,1-2H3
InChIKeyVLQIMKHBDRZMRH-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.44
Rot. Bonds5

About 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol

3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol (PubChem CID 143265888) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol
PubChem CID143265888
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol
SMILESCCc1cc(Br)cc2c3c([nH]c12)C(CC)(CCCO)OCC3
InChIInChI=1S/C18H24BrNO2/c1-3-12-10-13(19)11-15-14-6-9-22-18(4-2,7-5-8-21)17(14)20-16(12)15/h10-11,20-21H,3-9H2,1-2H3
InChIKeyVLQIMKHBDRZMRH-UHFFFAOYSA-N
XLogP4.44
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol with MolForge

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Related Compounds

2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 10967690
2-[(1R)-6-(2,4-difluorophenyl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 143028925
1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
CID 59832089
2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 143029004
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 688461
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethyl butanoate
CID 25198887
sodium;2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;hydride
CID 173052364
2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 59639732
pentyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 42613324
2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 11277657
2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide
CID 69423236
3-[1-ethyl-1-(2-hydroxyethyl)-6-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzaldehyde
CID 11429261

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol?
The IUPAC name of 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol (CID 143265888) is 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol?
The canonical SMILES for 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol is CCc1cc(Br)cc2c3c([nH]c12)C(CC)(CCCO)OCC3.
What is the InChIKey of 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol?
The InChIKey is VLQIMKHBDRZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO2/c1-3-12-10-13(19)11-15-14-6-9-22-18(4-2,7-5-8-21)17(14)20-16(12)15/h10-11,20-21H,3-9H2,1-2H3.
What are the key properties of 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol?
3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol has a molecular weight of 366.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-ol is sourced from PubChem (CID 143265888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).