1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol

C20H18Cl2N2O2 — CID 123728166

IUPAC1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol
SMILESCC(Cn1c(O)ccc1O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H18Cl2N2O2/c1-12(11-24-19(25)6-7-20(24)26)10-23-17-4-2-13(21)8-15(17)16-9-14(22)3-5-18(16)23/h2-9,12,25-26H,10-11H2,1H3
InChIKeyQYACTFVZOGAIJG-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.65
Rot. Bonds4

About 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol

1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol (PubChem CID 123728166) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol
PubChem CID123728166
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol
SMILESCC(Cn1c(O)ccc1O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H18Cl2N2O2/c1-12(11-24-19(25)6-7-20(24)26)10-23-17-4-2-13(21)8-15(17)16-9-14(22)3-5-18(16)23/h2-9,12,25-26H,10-11H2,1H3
InChIKeyQYACTFVZOGAIJG-UHFFFAOYSA-N
XLogP5.65
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
6-chloro-1-(2-methylpropyl)-3,1-benzoxazine-2,4-dione
CID 18803117
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol (CID 123728166) is 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol is CC(Cn1c(O)ccc1O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol?
The InChIKey is QYACTFVZOGAIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-12(11-24-19(25)6-7-20(24)26)10-23-17-4-2-13(21)8-15(17)16-9-14(22)3-5-18(16)23/h2-9,12,25-26H,10-11H2,1H3.
What are the key properties of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol?
1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol has a molecular weight of 389.28 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol is sourced from PubChem (CID 123728166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).