(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol

C21H17Br2NO2 — CID 52916664

IUPAC(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
SMILESO[C@H](COc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H17Br2NO2/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)24(20)12-16(25)13-26-17-4-2-1-3-5-17/h1-11,16,25H,12-13H2/t16-/m0/s1
InChIKeyTYNCPIWPEXSEIF-INIZCTEOSA-N
MW475.18 g/mol
LogP5.76
Rot. Bonds5

About (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol (PubChem CID 52916664) has the molecular formula C21H17Br2NO2 and a molecular weight of 475.18 g/mol. Its IUPAC name is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
PubChem CID52916664
Molecular FormulaC21H17Br2NO2
Molecular Weight475.18 g/mol
Exact Mass472.96
IUPAC Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
SMILESO[C@H](COc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H17Br2NO2/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)24(20)12-16(25)13-26-17-4-2-1-3-5-17/h1-11,16,25H,12-13H2/t16-/m0/s1
InChIKeyTYNCPIWPEXSEIF-INIZCTEOSA-N
XLogP5.76
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.18
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
CID 52916775
1-(3-bromo-6-isocyanocarbazol-9-yl)-3-(4-bromophenoxy)propan-2-ol
CID 123275514
8-bromo-5-(2-hydroxy-3-phenoxypropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carbonitrile
CID 58065827
1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851558
6-bromo-3-(2-hydroxy-3-phenoxypropyl)quinazolin-4-one
CID 17463770
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
CID 1098867
N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide
CID 46851716
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol
CID 981296
N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide
CID 58065850

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol (CID 52916664) is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol is O[C@H](COc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol?
The InChIKey is TYNCPIWPEXSEIF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H17Br2NO2/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)24(20)12-16(25)13-26-17-4-2-1-3-5-17/h1-11,16,25H,12-13H2/t16-/m0/s1.
What are the key properties of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol?
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol has a molecular weight of 475.18 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 52916664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).