1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone

C20H23NO3 — CID 135223403

IUPAC1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
SMILESCOCc1cc(O)c(C(=O)N2Cc3ccccc3C2)cc1C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)17-9-18(19(22)8-16(17)12-24-3)20(23)21-10-14-6-4-5-7-15(14)11-21/h4-9,13,22H,10-12H2,1-3H3
InChIKeySCUTXRJBEGPNHS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.82
Rot. Bonds4

About 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone

1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone (PubChem CID 135223403) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
PubChem CID135223403
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
SMILESCOCc1cc(O)c(C(=O)N2Cc3ccccc3C2)cc1C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)17-9-18(19(22)8-16(17)12-24-3)20(23)21-10-14-6-4-5-7-15(14)11-21/h4-9,13,22H,10-12H2,1-3H3
InChIKeySCUTXRJBEGPNHS-UHFFFAOYSA-N
XLogP3.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone
CID 176552286
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;ethane
CID 176552228
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(propan-2-yloxymethyl)-1H-indazol-5-yl]methanone
CID 140554944
(5-tert-butyl-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 176552490
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(piperidin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone
CID 24891186
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone;hydrochloride
CID 46915025
6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
CID 156596218
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone (CID 135223403) is 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone is COCc1cc(O)c(C(=O)N2Cc3ccccc3C2)cc1C(C)C.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone?
The InChIKey is SCUTXRJBEGPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(2)17-9-18(19(22)8-16(17)12-24-3)20(23)21-10-14-6-4-5-7-15(14)11-21/h4-9,13,22H,10-12H2,1-3H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone?
1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone is sourced from PubChem (CID 135223403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).