3-phenyl-4-propylisochromen-1-one

C18H16O2 — CID 177394778

IUPAC3-phenyl-4-propylisochromen-1-one
SMILESCCCc1c(-c2ccccc2)oc(=O)c2ccccc12
InChIInChI=1S/C18H16O2/c1-2-8-15-14-11-6-7-12-16(14)18(19)20-17(15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3
InChIKeyGMTOAAXUXFIBQG-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.41
Rot. Bonds3

About 3-phenyl-4-propylisochromen-1-one

3-phenyl-4-propylisochromen-1-one (PubChem CID 177394778) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-phenyl-4-propylisochromen-1-one.

Molecular Properties

Compound Name3-phenyl-4-propylisochromen-1-one
PubChem CID177394778
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-phenyl-4-propylisochromen-1-one
SMILESCCCc1c(-c2ccccc2)oc(=O)c2ccccc12
InChIInChI=1S/C18H16O2/c1-2-8-15-14-11-6-7-12-16(14)18(19)20-17(15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3
InChIKeyGMTOAAXUXFIBQG-UHFFFAOYSA-N
XLogP4.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-4-propylisochromen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-5-phenyl-3,4-dipropylfuran
CID 102050941
3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433
2-propyl-3,1-benzoxazin-4-one
CID 823661
4-phenyl-3-propan-2-ylisochromen-1-one
CID 123749566
4-(2-benzhydrylprop-2-enyl)-3-(4-methoxyphenyl)isochromen-1-one
CID 139261782
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
1,4-dimethylidene-2,3-dipropylnaphthalene
CID 178049562
4-methyl-3-phenyl-5-sulfanylisochromen-1-one
CID 174975341
3-chloro-5-phenyl-4-propyl-1,2-oxazole
CID 91731597
1-methyl-3,4-dipropylisoquinoline
CID 44606949
ethane;9-methyl-10-propylanthracene
CID 144649779

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propylisochromen-1-one?
The IUPAC name of 3-phenyl-4-propylisochromen-1-one (CID 177394778) is 3-phenyl-4-propylisochromen-1-one.
What is the SMILES notation for 3-phenyl-4-propylisochromen-1-one?
The canonical SMILES for 3-phenyl-4-propylisochromen-1-one is CCCc1c(-c2ccccc2)oc(=O)c2ccccc12.
What is the InChIKey of 3-phenyl-4-propylisochromen-1-one?
The InChIKey is GMTOAAXUXFIBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-8-15-14-11-6-7-12-16(14)18(19)20-17(15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 3-phenyl-4-propylisochromen-1-one?
3-phenyl-4-propylisochromen-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propylisochromen-1-one is sourced from PubChem (CID 177394778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).