6-cyclohexa-1,5-dien-1-ylisochromen-1-one

C15H12O2 — CID 90031317

IUPAC6-cyclohexa-1,5-dien-1-ylisochromen-1-one
SMILESO=c1occc2cc(C3=CCCC=C3)ccc12
InChIInChI=1S/C15H12O2/c16-15-14-7-6-12(10-13(14)8-9-17-15)11-4-2-1-3-5-11/h2,4-10H,1,3H2
InChIKeySKDMJXRWCLSZMF-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.53
Rot. Bonds1

About 6-cyclohexa-1,5-dien-1-ylisochromen-1-one

6-cyclohexa-1,5-dien-1-ylisochromen-1-one (PubChem CID 90031317) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-ylisochromen-1-one.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-ylisochromen-1-one
PubChem CID90031317
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name6-cyclohexa-1,5-dien-1-ylisochromen-1-one
SMILESO=c1occc2cc(C3=CCCC=C3)ccc12
InChIInChI=1S/C15H12O2/c16-15-14-7-6-12(10-13(14)8-9-17-15)11-4-2-1-3-5-11/h2,4-10H,1,3H2
InChIKeySKDMJXRWCLSZMF-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
2,5-di(cyclohexa-1,5-dien-1-yl)aniline
CID 170416463
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
[1,3]dioxolo[4,5-g]isochromen-5-one
CID 15120993
2-(5-cyclohexa-1,5-dien-1-yl-1H-indol-3-yl)acetic acid
CID 167159476

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-ylisochromen-1-one?
The IUPAC name of 6-cyclohexa-1,5-dien-1-ylisochromen-1-one (CID 90031317) is 6-cyclohexa-1,5-dien-1-ylisochromen-1-one.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-ylisochromen-1-one?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-ylisochromen-1-one is O=c1occc2cc(C3=CCCC=C3)ccc12.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-ylisochromen-1-one?
The InChIKey is SKDMJXRWCLSZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-15-14-7-6-12(10-13(14)8-9-17-15)11-4-2-1-3-5-11/h2,4-10H,1,3H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-ylisochromen-1-one?
6-cyclohexa-1,5-dien-1-ylisochromen-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-ylisochromen-1-one is sourced from PubChem (CID 90031317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).