4-(3-bromocarbazol-9-yl)butane-1,2-diol

C16H16BrNO2 — CID 59926325

IUPAC4-(3-bromocarbazol-9-yl)butane-1,2-diol
SMILESOCC(O)CCn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C16H16BrNO2/c17-11-5-6-16-14(9-11)13-3-1-2-4-15(13)18(16)8-7-12(20)10-19/h1-6,9,12,19-20H,7-8,10H2
InChIKeyVYOLFVDWQBUPEN-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.30
Rot. Bonds4

About 4-(3-bromocarbazol-9-yl)butane-1,2-diol

4-(3-bromocarbazol-9-yl)butane-1,2-diol (PubChem CID 59926325) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-(3-bromocarbazol-9-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-(3-bromocarbazol-9-yl)butane-1,2-diol
PubChem CID59926325
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-(3-bromocarbazol-9-yl)butane-1,2-diol
SMILESOCC(O)CCn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C16H16BrNO2/c17-11-5-6-16-14(9-11)13-3-1-2-4-15(13)18(16)8-7-12(20)10-19/h1-6,9,12,19-20H,7-8,10H2
InChIKeyVYOLFVDWQBUPEN-UHFFFAOYSA-N
XLogP3.30
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol
CID 46851211
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
CID 147627416
CID 147627416
3-bromo-9-butan-2-ylcarbazole
CID 176624773
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851558
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7271909

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocarbazol-9-yl)butane-1,2-diol?
The IUPAC name of 4-(3-bromocarbazol-9-yl)butane-1,2-diol (CID 59926325) is 4-(3-bromocarbazol-9-yl)butane-1,2-diol.
What is the SMILES notation for 4-(3-bromocarbazol-9-yl)butane-1,2-diol?
The canonical SMILES for 4-(3-bromocarbazol-9-yl)butane-1,2-diol is OCC(O)CCn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 4-(3-bromocarbazol-9-yl)butane-1,2-diol?
The InChIKey is VYOLFVDWQBUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-11-5-6-16-14(9-11)13-3-1-2-4-15(13)18(16)8-7-12(20)10-19/h1-6,9,12,19-20H,7-8,10H2.
What are the key properties of 4-(3-bromocarbazol-9-yl)butane-1,2-diol?
4-(3-bromocarbazol-9-yl)butane-1,2-diol has a molecular weight of 334.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocarbazol-9-yl)butane-1,2-diol is sourced from PubChem (CID 59926325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).