8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one

C16H18O2 — CID 56603623

IUPAC8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESCC1CCCC2=C1OC(c1ccccc1)CC2=O
InChIInChI=1S/C16H18O2/c1-11-6-5-9-13-14(17)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3
InChIKeyKHVUWMFLUQEYBH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.79
Rot. Bonds1

About 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one

8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one (PubChem CID 56603623) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one.

Molecular Properties

Compound Name8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one
PubChem CID56603623
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESCC1CCCC2=C1OC(c1ccccc1)CC2=O
InChIInChI=1S/C16H18O2/c1-11-6-5-9-13-14(17)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3
InChIKeyKHVUWMFLUQEYBH-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one?
The IUPAC name of 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one (CID 56603623) is 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one.
What is the SMILES notation for 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one?
The canonical SMILES for 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one is CC1CCCC2=C1OC(c1ccccc1)CC2=O.
What is the InChIKey of 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one?
The InChIKey is KHVUWMFLUQEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-6-5-9-13-14(17)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3.
What are the key properties of 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one?
8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one has a molecular weight of 242.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-2,3,5,6,7,8-hexahydrochromen-4-one is sourced from PubChem (CID 56603623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).