8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol

C13H18ClNO2 — CID 82188571

IUPAC8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
SMILESCCN(CC)C1c2cccc(Cl)c2OCC1O
InChIInChI=1S/C13H18ClNO2/c1-3-15(4-2)12-9-6-5-7-10(14)13(9)17-8-11(12)16/h5-7,11-12,16H,3-4,8H2,1-2H3
InChIKeyVIFHLAIAKJSDMM-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.48
Rot. Bonds3

About 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol

8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188571) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188571
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
SMILESCCN(CC)C1c2cccc(Cl)c2OCC1O
InChIInChI=1S/C13H18ClNO2/c1-3-15(4-2)12-9-6-5-7-10(14)13(9)17-8-11(12)16/h5-7,11-12,16H,3-4,8H2,1-2H3
InChIKeyVIFHLAIAKJSDMM-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol (CID 82188571) is 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol is CCN(CC)C1c2cccc(Cl)c2OCC1O.
What is the InChIKey of 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is VIFHLAIAKJSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15(4-2)12-9-6-5-7-10(14)13(9)17-8-11(12)16/h5-7,11-12,16H,3-4,8H2,1-2H3.
What are the key properties of 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol?
8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 255.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).