4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol

C16H23NO3 — CID 82188688

IUPAC4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cccc2c1OCC(O)C2N1CCCCCC1
InChIInChI=1S/C16H23NO3/c1-19-14-8-6-7-12-15(13(18)11-20-16(12)14)17-9-4-2-3-5-10-17/h6-8,13,15,18H,2-5,9-11H2,1H3
InChIKeyBESUFMCSMUBUPJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds2

About 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol

4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188688) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188688
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cccc2c1OCC(O)C2N1CCCCCC1
InChIInChI=1S/C16H23NO3/c1-19-14-8-6-7-12-15(13(18)11-20-16(12)14)17-9-4-2-3-5-10-17/h6-8,13,15,18H,2-5,9-11H2,1H3
InChIKeyBESUFMCSMUBUPJ-UHFFFAOYSA-N
XLogP2.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188560
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188705
1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82187050
(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
CID 135004473
4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188692
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689
(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
CID 70426824
8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188227
2-(3,4-dichlorophenyl)-N-(8-methoxy-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl)-N-methylacetamide
CID 22120707
3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187052

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol (CID 82188688) is 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol is COc1cccc2c1OCC(O)C2N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is BESUFMCSMUBUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-8-6-7-12-15(13(18)11-20-16(12)14)17-9-4-2-3-5-10-17/h6-8,13,15,18H,2-5,9-11H2,1H3.
What are the key properties of 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 277.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).