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

C15H21NO2 — CID 114743718

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
SMILESOC1(c2cccc3c2OCCC3)CCCNCC1
InChIInChI=1S/C15H21NO2/c17-15(7-3-9-16-10-8-15)13-6-1-4-12-5-2-11-18-14(12)13/h1,4,6,16-17H,2-3,5,7-11H2
InChIKeyBQTCWMKFNSDCNG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds1

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

4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol (PubChem CID 114743718) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
PubChem CID114743718
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
SMILESOC1(c2cccc3c2OCCC3)CCCNCC1
InChIInChI=1S/C15H21NO2/c17-15(7-3-9-16-10-8-15)13-6-1-4-12-5-2-11-18-14(12)13/h1,4,6,16-17H,2-3,5,7-11H2
InChIKeyBQTCWMKFNSDCNG-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-ol
CID 18787260
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743921

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol (CID 114743718) is 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol is OC1(c2cccc3c2OCCC3)CCCNCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol?
The InChIKey is BQTCWMKFNSDCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(7-3-9-16-10-8-15)13-6-1-4-12-5-2-11-18-14(12)13/h1,4,6,16-17H,2-3,5,7-11H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol?
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol is sourced from PubChem (CID 114743718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).