1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone

C16H15NO2 — CID 79601015

IUPAC1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N2Cc3ccccc3C2)cc1O
InChIInChI=1S/C16H15NO2/c1-11(18)15-7-6-14(8-16(15)19)17-9-12-4-2-3-5-13(12)10-17/h2-8,19H,9-10H2,1H3
InChIKeyVGWXMHVECYSWCA-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.12
Rot. Bonds2

About 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone

1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone (PubChem CID 79601015) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
PubChem CID79601015
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N2Cc3ccccc3C2)cc1O
InChIInChI=1S/C16H15NO2/c1-11(18)15-7-6-14(8-16(15)19)17-9-12-4-2-3-5-13(12)10-17/h2-8,19H,9-10H2,1H3
InChIKeyVGWXMHVECYSWCA-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone (CID 79601015) is 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(N2Cc3ccccc3C2)cc1O.
What is the InChIKey of 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone?
The InChIKey is VGWXMHVECYSWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(18)15-7-6-14(8-16(15)19)17-9-12-4-2-3-5-13(12)10-17/h2-8,19H,9-10H2,1H3.
What are the key properties of 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone?
1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone has a molecular weight of 253.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79601015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).