[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol

C16H16BrNO2 — CID 107150118

IUPAC[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol
SMILESOCC1(Nc2cccc(Br)c2)COCc2ccccc21
InChIInChI=1S/C16H16BrNO2/c17-13-5-3-6-14(8-13)18-16(10-19)11-20-9-12-4-1-2-7-15(12)16/h1-8,18-19H,9-11H2
InChIKeyQOIABRIOMNGCQC-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.28
Rot. Bonds3

About [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol

[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol (PubChem CID 107150118) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol
PubChem CID107150118
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol
SMILESOCC1(Nc2cccc(Br)c2)COCc2ccccc21
InChIInChI=1S/C16H16BrNO2/c17-13-5-3-6-14(8-13)18-16(10-19)11-20-9-12-4-1-2-7-15(12)16/h1-8,18-19H,9-11H2
InChIKeyQOIABRIOMNGCQC-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[4-(hydroxymethyl)-1,3-dihydroisochromen-4-yl]acetamide
CID 122622134
[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 63632410
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539
[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61048656
[3-(3-bromoanilino)-2-methyloxolan-3-yl]methanol
CID 82717334
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61046616
1-(3-bromoanilino)-2,3-dihydroindene-1-carbonitrile
CID 54887114
N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148809
[1-(3-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735363
N-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]aniline
CID 19028893
[2-(3-bromoanilino)-2-bicyclo[4.1.0]heptanyl]methanol
CID 112740420
methyl 2-(3-bromoanilino)-1,3-dihydroindene-2-carboxylate
CID 60993146

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol?
The IUPAC name of [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol (CID 107150118) is [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol.
What is the SMILES notation for [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol?
The canonical SMILES for [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol is OCC1(Nc2cccc(Br)c2)COCc2ccccc21.
What is the InChIKey of [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol?
The InChIKey is QOIABRIOMNGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-13-5-3-6-14(8-13)18-16(10-19)11-20-9-12-4-1-2-7-15(12)16/h1-8,18-19H,9-11H2.
What are the key properties of [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol?
[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol has a molecular weight of 334.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol is sourced from PubChem (CID 107150118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).