3-benzyl-3,4-dihydroisochromen-1-one

C16H14O2 — CID 10728624

IUPAC3-benzyl-3,4-dihydroisochromen-1-one
SMILESO=C1OC(Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2
InChIKeyHCUSPJGHRICUSM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.01
Rot. Bonds2

About 3-benzyl-3,4-dihydroisochromen-1-one

3-benzyl-3,4-dihydroisochromen-1-one (PubChem CID 10728624) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-benzyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name3-benzyl-3,4-dihydroisochromen-1-one
PubChem CID10728624
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-benzyl-3,4-dihydroisochromen-1-one
SMILESO=C1OC(Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2
InChIKeyHCUSPJGHRICUSM-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
CID 85204025
2-benzyl-2,3-dihydrochromen-4-one
CID 14773508
3-propyl-3,4-dihydroisochromen-1-one
CID 11116834
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
(3S)-3-pentadecyl-3,4-dihydroisochromen-1-one
CID 101031026
3-(4-methylpentyl)-3,4-dihydroisochromen-1-one
CID 102480688
N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
(3S)-1-oxo-N-phenylmethoxy-3,4-dihydroisochromene-3-carboxamide
CID 95276381
(3S)-2,3-dibenzyl-3,4-dihydroisoquinolin-1-one
CID 160964230
3-hydroperoxy-3,4-dihydroisochromen-1-one
CID 19760474
(3R)-3-ethenyl-3,4-dihydroisochromen-1-one
CID 122202366

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3,4-dihydroisochromen-1-one?
The IUPAC name of 3-benzyl-3,4-dihydroisochromen-1-one (CID 10728624) is 3-benzyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 3-benzyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for 3-benzyl-3,4-dihydroisochromen-1-one is O=C1OC(Cc2ccccc2)Cc2ccccc21.
What is the InChIKey of 3-benzyl-3,4-dihydroisochromen-1-one?
The InChIKey is HCUSPJGHRICUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2.
What are the key properties of 3-benzyl-3,4-dihydroisochromen-1-one?
3-benzyl-3,4-dihydroisochromen-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 10728624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).