1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone

C15H13NO3 — CID 11955507

IUPAC1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
InChIKeyFYANAIGOGAIFAF-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.25
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone

1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone (PubChem CID 11955507) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
PubChem CID11955507
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
InChIKeyFYANAIGOGAIFAF-UHFFFAOYSA-N
XLogP2.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
CID 135223403
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 103750365
(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873383
(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721484
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
(2,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103892619
N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide
CID 156596198
[4-(bromomethyl)-2-hydroxy-5-(2-methylpropyl)phenyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 156596190

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone (CID 11955507) is 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone is O=C(c1ccc(O)cc1O)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone?
The InChIKey is FYANAIGOGAIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2.
What are the key properties of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone?
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone has a molecular weight of 255.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 11955507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).