3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol

C17H27NO3 — CID 82187139

IUPAC3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCN(CCC)C1COc2ccc(OCC)cc2C1O
InChIInChI=1S/C17H27NO3/c1-4-9-18(10-5-2)15-12-21-16-8-7-13(20-6-3)11-14(16)17(15)19/h7-8,11,15,17,19H,4-6,9-10,12H2,1-3H3
InChIKeyPSHSYADASWASIP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds7

About 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol

3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82187139) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID82187139
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCCN(CCC)C1COc2ccc(OCC)cc2C1O
InChIInChI=1S/C17H27NO3/c1-4-9-18(10-5-2)15-12-21-16-8-7-13(20-6-3)11-14(16)17(15)19/h7-8,11,15,17,19H,4-6,9-10,12H2,1-3H3
InChIKeyPSHSYADASWASIP-UHFFFAOYSA-N
XLogP3.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol (CID 82187139) is 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol is CCCN(CCC)C1COc2ccc(OCC)cc2C1O.
What is the InChIKey of 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PSHSYADASWASIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-9-18(10-5-2)15-12-21-16-8-7-13(20-6-3)11-14(16)17(15)19/h7-8,11,15,17,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol?
3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 293.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82187139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).