4-phenyl-3-propan-2-ylisochromen-1-one

C18H16O2 — CID 123749566

IUPAC4-phenyl-3-propan-2-ylisochromen-1-one
SMILESCC(C)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H16O2/c1-12(2)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(19)20-17/h3-12H,1-2H3
InChIKeyKLSOXOSZVRUGBY-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.58
Rot. Bonds2

About 4-phenyl-3-propan-2-ylisochromen-1-one

4-phenyl-3-propan-2-ylisochromen-1-one (PubChem CID 123749566) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-phenyl-3-propan-2-ylisochromen-1-one.

Molecular Properties

Compound Name4-phenyl-3-propan-2-ylisochromen-1-one
PubChem CID123749566
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-phenyl-3-propan-2-ylisochromen-1-one
SMILESCC(C)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H16O2/c1-12(2)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(19)20-17/h3-12H,1-2H3
InChIKeyKLSOXOSZVRUGBY-UHFFFAOYSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-propan-2-ylisochromen-1-one?
The IUPAC name of 4-phenyl-3-propan-2-ylisochromen-1-one (CID 123749566) is 4-phenyl-3-propan-2-ylisochromen-1-one.
What is the SMILES notation for 4-phenyl-3-propan-2-ylisochromen-1-one?
The canonical SMILES for 4-phenyl-3-propan-2-ylisochromen-1-one is CC(C)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-phenyl-3-propan-2-ylisochromen-1-one?
The InChIKey is KLSOXOSZVRUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(2)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(19)20-17/h3-12H,1-2H3.
What are the key properties of 4-phenyl-3-propan-2-ylisochromen-1-one?
4-phenyl-3-propan-2-ylisochromen-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-propan-2-ylisochromen-1-one is sourced from PubChem (CID 123749566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).