11H-cyclohepta[c]isochromen-10-one

C14H10O2 — CID 54241957

IUPAC11H-cyclohepta[c]isochromen-10-one
SMILESO=C1C=CC=C2OC=c3ccccc3=C2C1
InChIInChI=1S/C14H10O2/c15-11-5-3-7-14-13(8-11)12-6-2-1-4-10(12)9-16-14/h1-7,9H,8H2
InChIKeyQQQIYLKIIFRULE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.02
Rot. Bonds

About 11H-cyclohepta[c]isochromen-10-one

11H-cyclohepta[c]isochromen-10-one (PubChem CID 54241957) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 11H-cyclohepta[c]isochromen-10-one.

Molecular Properties

Compound Name11H-cyclohepta[c]isochromen-10-one
PubChem CID54241957
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name11H-cyclohepta[c]isochromen-10-one
SMILESO=C1C=CC=C2OC=c3ccccc3=C2C1
InChIInChI=1S/C14H10O2/c15-11-5-3-7-14-13(8-11)12-6-2-1-4-10(12)9-16-14/h1-7,9H,8H2
InChIKeyQQQIYLKIIFRULE-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11H-cyclohepta[c]isochromen-10-one?
The IUPAC name of 11H-cyclohepta[c]isochromen-10-one (CID 54241957) is 11H-cyclohepta[c]isochromen-10-one.
What is the SMILES notation for 11H-cyclohepta[c]isochromen-10-one?
The canonical SMILES for 11H-cyclohepta[c]isochromen-10-one is O=C1C=CC=C2OC=c3ccccc3=C2C1.
What is the InChIKey of 11H-cyclohepta[c]isochromen-10-one?
The InChIKey is QQQIYLKIIFRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-11-5-3-7-14-13(8-11)12-6-2-1-4-10(12)9-16-14/h1-7,9H,8H2.
What are the key properties of 11H-cyclohepta[c]isochromen-10-one?
11H-cyclohepta[c]isochromen-10-one has a molecular weight of 210.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-cyclohepta[c]isochromen-10-one is sourced from PubChem (CID 54241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).