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

C16H15Br2NO2 — CID 4155242

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C16H15Br2NO2/c1-21-9-12(20)8-19-15-4-2-10(17)6-13(15)14-7-11(18)3-5-16(14)19/h2-7,12,20H,8-9H2,1H3
InChIKeyYZDSOHADUPCFTP-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.33
Rot. Bonds4

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

1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol (PubChem CID 4155242) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol
PubChem CID4155242
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C16H15Br2NO2/c1-21-9-12(20)8-19-15-4-2-10(17)6-13(15)14-7-11(18)3-5-16(14)19/h2-7,12,20H,8-9H2,1H3
InChIKeyYZDSOHADUPCFTP-UHFFFAOYSA-N
XLogP4.33
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol (CID 4155242) is 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol is COCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol?
The InChIKey is YZDSOHADUPCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-21-9-12(20)8-19-15-4-2-10(17)6-13(15)14-7-11(18)3-5-16(14)19/h2-7,12,20H,8-9H2,1H3.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol has a molecular weight of 413.11 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 4155242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).