methyl 2-(8-chloro-9H-carbazol-1-yl)acetate

C15H12ClNO2 — CID 91740274

IUPACmethyl 2-(8-chloro-9H-carbazol-1-yl)acetate
SMILESCOC(=O)Cc1cccc2c1[nH]c1c(Cl)cccc12
InChIInChI=1S/C15H12ClNO2/c1-19-13(18)8-9-4-2-5-10-11-6-3-7-12(16)15(11)17-14(9)10/h2-7,17H,8H2,1H3
InChIKeyBUEMKELOPUZJHI-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.69
Rot. Bonds2

About methyl 2-(8-chloro-9H-carbazol-1-yl)acetate

methyl 2-(8-chloro-9H-carbazol-1-yl)acetate (PubChem CID 91740274) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is methyl 2-(8-chloro-9H-carbazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-chloro-9H-carbazol-1-yl)acetate
PubChem CID91740274
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Namemethyl 2-(8-chloro-9H-carbazol-1-yl)acetate
SMILESCOC(=O)Cc1cccc2c1[nH]c1c(Cl)cccc12
InChIInChI=1S/C15H12ClNO2/c1-19-13(18)8-9-4-2-5-10-11-6-3-7-12(16)15(11)17-14(9)10/h2-7,17H,8H2,1H3
InChIKeyBUEMKELOPUZJHI-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
CID 2068157
3-[2-(3-chlorophenyl)-1H-indol-5-yl]propanoic acid
CID 142738567
ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 2915792
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 7074071
(2r)-6-Chloro-2,3,4,9-Tetrahydro-1h-Carbazole-2-Carboxylic Acid
CID 73010404
5,8-dichloro-1-propyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 11602287
8-chloro-1-propyl-5-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 11631847
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 3148372
Carprofen Methyl Ester
CID 14049818
8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate
CID 163199752
Carbazole-1-acetic acid
CID 125440
2-(8-chloro-9H-carbazol-1-yl)acetic acid
CID 71340855

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-chloro-9H-carbazol-1-yl)acetate?
The IUPAC name of methyl 2-(8-chloro-9H-carbazol-1-yl)acetate (CID 91740274) is methyl 2-(8-chloro-9H-carbazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(8-chloro-9H-carbazol-1-yl)acetate?
The canonical SMILES for methyl 2-(8-chloro-9H-carbazol-1-yl)acetate is COC(=O)Cc1cccc2c1[nH]c1c(Cl)cccc12.
What is the InChIKey of methyl 2-(8-chloro-9H-carbazol-1-yl)acetate?
The InChIKey is BUEMKELOPUZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-19-13(18)8-9-4-2-5-10-11-6-3-7-12(16)15(11)17-14(9)10/h2-7,17H,8H2,1H3.
What are the key properties of methyl 2-(8-chloro-9H-carbazol-1-yl)acetate?
methyl 2-(8-chloro-9H-carbazol-1-yl)acetate has a molecular weight of 273.72 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-chloro-9H-carbazol-1-yl)acetate is sourced from PubChem (CID 91740274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).