3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

C19H15ClO2 — CID 118573498

IUPAC3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
SMILESC=C(Cl)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O
InChIInChI=1S/C19H15ClO2/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,1-4,10H2
InChIKeyIQJCJIYZTOHJBV-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.97
Rot. Bonds1

About 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one (PubChem CID 118573498) has the molecular formula C19H15ClO2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one.

Molecular Properties

Compound Name3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
PubChem CID118573498
Molecular FormulaC19H15ClO2
Molecular Weight310.78 g/mol
Exact Mass310.08
IUPAC Name3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
SMILESC=C(Cl)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O
InChIInChI=1S/C19H15ClO2/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,1-4,10H2
InChIKeyIQJCJIYZTOHJBV-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
The IUPAC name of 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one (CID 118573498) is 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one.
What is the SMILES notation for 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
The canonical SMILES for 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one is C=C(Cl)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O.
What is the InChIKey of 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
The InChIKey is IQJCJIYZTOHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO2/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,1-4,10H2.
What are the key properties of 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one has a molecular weight of 310.78 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethenyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one is sourced from PubChem (CID 118573498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).