(3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone

C15H12BrNO2 — CID 57440524

IUPAC(3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccc(O)c(Br)c1)N1Cc2ccccc2C1
InChIInChI=1S/C15H12BrNO2/c16-13-7-10(5-6-14(13)18)15(19)17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-9H2
InChIKeyBISGZMQSUGKXSP-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.31
Rot. Bonds1

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

(3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 57440524) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID57440524
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccc(O)c(Br)c1)N1Cc2ccccc2C1
InChIInChI=1S/C15H12BrNO2/c16-13-7-10(5-6-14(13)18)15(19)17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-9H2
InChIKeyBISGZMQSUGKXSP-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 57440524) is (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1ccc(O)c(Br)c1)N1Cc2ccccc2C1.
What is the InChIKey of (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is BISGZMQSUGKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-13-7-10(5-6-14(13)18)15(19)17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-9H2.
What are the key properties of (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 318.17 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 57440524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).