3-chloro-1,5,6,7-tetramethoxy-9H-carbazole

C16H16ClNO4 — CID 171714852

IUPAC3-chloro-1,5,6,7-tetramethoxy-9H-carbazole
SMILESCOc1cc2[nH]c3c(OC)cc(Cl)cc3c2c(OC)c1OC
InChIInChI=1S/C16H16ClNO4/c1-19-11-6-8(17)5-9-13-10(18-14(9)11)7-12(20-2)15(21-3)16(13)22-4/h5-7,18H,1-4H3
InChIKeyIXBZAGTXVQVZFK-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole

3-chloro-1,5,6,7-tetramethoxy-9H-carbazole (PubChem CID 171714852) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole.

Molecular Properties

Compound Name3-chloro-1,5,6,7-tetramethoxy-9H-carbazole
PubChem CID171714852
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name3-chloro-1,5,6,7-tetramethoxy-9H-carbazole
SMILESCOc1cc2[nH]c3c(OC)cc(Cl)cc3c2c(OC)c1OC
InChIInChI=1S/C16H16ClNO4/c1-19-11-6-8(17)5-9-13-10(18-14(9)11)7-12(20-2)15(21-3)16(13)22-4/h5-7,18H,1-4H3
InChIKeyIXBZAGTXVQVZFK-UHFFFAOYSA-N
XLogP4.01
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane
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5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
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2-bromo-6-chloro-4-methoxy-1-benzothiophene
CID 130914553
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole?
The IUPAC name of 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole (CID 171714852) is 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole.
What is the SMILES notation for 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole?
The canonical SMILES for 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole is COc1cc2[nH]c3c(OC)cc(Cl)cc3c2c(OC)c1OC.
What is the InChIKey of 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole?
The InChIKey is IXBZAGTXVQVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-19-11-6-8(17)5-9-13-10(18-14(9)11)7-12(20-2)15(21-3)16(13)22-4/h5-7,18H,1-4H3.
What are the key properties of 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole?
3-chloro-1,5,6,7-tetramethoxy-9H-carbazole has a molecular weight of 321.76 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,5,6,7-tetramethoxy-9H-carbazole is sourced from PubChem (CID 171714852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).