2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one

C15H18O2 — CID 69302703

IUPAC2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESO=C1CC(C2=CCCC=C2)OC2=C1CCCC2
InChIInChI=1S/C15H18O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6-7,15H,1,3-5,8-10H2
InChIKeyBGEUTLSWIRAEBF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.45
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one

2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one (PubChem CID 69302703) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one
PubChem CID69302703
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESO=C1CC(C2=CCCC=C2)OC2=C1CCCC2
InChIInChI=1S/C15H18O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6-7,15H,1,3-5,8-10H2
InChIKeyBGEUTLSWIRAEBF-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one (CID 69302703) is 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one is O=C1CC(C2=CCCC=C2)OC2=C1CCCC2.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
The InChIKey is BGEUTLSWIRAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6-7,15H,1,3-5,8-10H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one is sourced from PubChem (CID 69302703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).