1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone

C23H21NO3 — CID 171344383

IUPAC1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone
SMILESCC(O)(c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O
InChIInChI=1S/C23H21NO3/c1-23(27,19-9-3-2-4-10-19)20-13-16(11-12-21(20)25)22(26)24-14-17-7-5-6-8-18(17)15-24/h2-13,25,27H,14-15H2,1H3
InChIKeyJQFGMYHNSMPVPV-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.80
Rot. Bonds3

About 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone

1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone (PubChem CID 171344383) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone
PubChem CID171344383
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone
SMILESCC(O)(c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O
InChIInChI=1S/C23H21NO3/c1-23(27,19-9-3-2-4-10-19)20-13-16(11-12-21(20)25)22(26)24-14-17-7-5-6-8-18(17)15-24/h2-13,25,27H,14-15H2,1H3
InChIKeyJQFGMYHNSMPVPV-UHFFFAOYSA-N
XLogP3.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydroisoindol-2-yl-[4-hydroxy-3-[(E)-2-hydroxy-5-phenylpent-4-en-2-yl]phenyl]methanone
CID 171354314
(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575
[3-[5-(4-chlorophenyl)-2-hydroxypentan-2-yl]-4-hydroxyphenyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 171357121
2-benzoyl-1,3-dihydroisoquinolin-4-one
CID 15740840
1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453677
1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
CID 71108646
(E)-N-[2-(3-tert-butyl-4-hydroxybenzoyl)-1,3-dihydroisoindol-4-yl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 172614199
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
1-(3-tert-butyl-4-hydroxybenzoyl)-4-oxopiperidine-3-carboxylic acid
CID 154499710
(3-hydroxy-4-iodophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104628330
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
CID 10562254
5-(4-chloro-1,3-dihydroisoindole-2-carbonyl)-2-hydroxybenzoic acid
CID 170966642

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone (CID 171344383) is 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone is CC(O)(c1ccccc1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone?
The InChIKey is JQFGMYHNSMPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-23(27,19-9-3-2-4-10-19)20-13-16(11-12-21(20)25)22(26)24-14-17-7-5-6-8-18(17)15-24/h2-13,25,27H,14-15H2,1H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone?
1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone has a molecular weight of 359.43 g/mol, XLogP of 3.80, 3 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-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone is sourced from PubChem (CID 171344383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).