3-naphthalen-1-ylisochromen-1-one

C19H12O2 — CID 46868593

IUPAC3-naphthalen-1-ylisochromen-1-one
SMILESO=c1oc(-c2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C19H12O2/c20-19-16-10-4-2-7-14(16)12-18(21-19)17-11-5-8-13-6-1-3-9-15(13)17/h1-12H
InChIKeyMLBULWNZNFKVRF-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.61
Rot. Bonds1

About 3-naphthalen-1-ylisochromen-1-one

3-naphthalen-1-ylisochromen-1-one (PubChem CID 46868593) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-naphthalen-1-ylisochromen-1-one.

Molecular Properties

Compound Name3-naphthalen-1-ylisochromen-1-one
PubChem CID46868593
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name3-naphthalen-1-ylisochromen-1-one
SMILESO=c1oc(-c2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C19H12O2/c20-19-16-10-4-2-7-14(16)12-18(21-19)17-11-5-8-13-6-1-3-9-15(13)17/h1-12H
InChIKeyMLBULWNZNFKVRF-UHFFFAOYSA-N
XLogP4.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-naphthalen-1-ylisochromen-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

tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
3-(4-oxochromen-3-yl)isochromen-1-one
CID 166523801
3-hydroxy-6-naphthalen-1-yl-4-phenylsulfanylpyran-2-one
CID 86231779
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9-naphthalen-1-ylphenanthrene
CID 20606742
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
3-(5-methyl-2-phenoxyphenyl)isochromen-1-one
CID 132505094
3-(1-hydroxyethyl)isochromen-1-one
CID 11171487
3-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]isochromen-1-one
CID 142733029

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylisochromen-1-one?
The IUPAC name of 3-naphthalen-1-ylisochromen-1-one (CID 46868593) is 3-naphthalen-1-ylisochromen-1-one.
What is the SMILES notation for 3-naphthalen-1-ylisochromen-1-one?
The canonical SMILES for 3-naphthalen-1-ylisochromen-1-one is O=c1oc(-c2cccc3ccccc23)cc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylisochromen-1-one?
The InChIKey is MLBULWNZNFKVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-19-16-10-4-2-7-14(16)12-18(21-19)17-11-5-8-13-6-1-3-9-15(13)17/h1-12H.
What are the key properties of 3-naphthalen-1-ylisochromen-1-one?
3-naphthalen-1-ylisochromen-1-one has a molecular weight of 272.30 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylisochromen-1-one is sourced from PubChem (CID 46868593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).