3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one

C19H16O2 — CID 140997606

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1C1CCCc2ccccc21
InChIInChI=1S/C19H16O2/c20-19-17(12-14-7-2-4-11-18(14)21-19)16-10-5-8-13-6-1-3-9-15(13)16/h1-4,6-7,9,11-12,16H,5,8,10H2
InChIKeyJGIIIHYIKUDCPM-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.26
Rot. Bonds1

About 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one

3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one (PubChem CID 140997606) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
PubChem CID140997606
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1C1CCCc2ccccc21
InChIInChI=1S/C19H16O2/c20-19-17(12-14-7-2-4-11-18(14)21-19)16-10-5-8-13-6-1-3-9-15(13)16/h1-4,6-7,9,11-12,16H,5,8,10H2
InChIKeyJGIIIHYIKUDCPM-UHFFFAOYSA-N
XLogP4.26
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one (CID 140997606) is 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is O=c1oc2ccccc2cc1C1CCCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?
The InChIKey is JGIIIHYIKUDCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-19-17(12-14-7-2-4-11-18(14)21-19)16-10-5-8-13-6-1-3-9-15(13)16/h1-4,6-7,9,11-12,16H,5,8,10H2.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?
3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one has a molecular weight of 276.34 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is sourced from PubChem (CID 140997606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).