ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate

C16H14ClNO2 — CID 154120710

IUPACethyl 2-(8-chloro-9H-carbazol-2-yl)acetate
SMILESCCOC(=O)Cc1ccc2c(c1)[nH]c1c(Cl)cccc12
InChIInChI=1S/C16H14ClNO2/c1-2-20-15(19)9-10-6-7-11-12-4-3-5-13(17)16(12)18-14(11)8-10/h3-8,18H,2,9H2,1H3
InChIKeyVPQFGSDQRACDFA-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.08
Rot. Bonds3

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

ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate (PubChem CID 154120710) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-chloro-9H-carbazol-2-yl)acetate
PubChem CID154120710
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Nameethyl 2-(8-chloro-9H-carbazol-2-yl)acetate
SMILESCCOC(=O)Cc1ccc2c(c1)[nH]c1c(Cl)cccc12
InChIInChI=1S/C16H14ClNO2/c1-2-20-15(19)9-10-6-7-11-12-4-3-5-13(17)16(12)18-14(11)8-10/h3-8,18H,2,9H2,1H3
InChIKeyVPQFGSDQRACDFA-UHFFFAOYSA-N
XLogP4.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131887311
ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
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ethyl 2-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CID 129010524
ethane;ethyl 2-[3-(bromomethyl)phenyl]acetate;methanamine
CID 143592739
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412
ethyl 2-phenylacetate
CID 7590
[3-(2-ethoxy-2-oxoethyl)phenyl]boronic acid
CID 53216302
ethyl 2-(8-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetate
CID 10061482

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate?
The IUPAC name of ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate (CID 154120710) is ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate is CCOC(=O)Cc1ccc2c(c1)[nH]c1c(Cl)cccc12.
What is the InChIKey of ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate?
The InChIKey is VPQFGSDQRACDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-20-15(19)9-10-6-7-11-12-4-3-5-13(17)16(12)18-14(11)8-10/h3-8,18H,2,9H2,1H3.
What are the key properties of ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate?
ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate has a molecular weight of 287.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-chloro-9H-carbazol-2-yl)acetate is sourced from PubChem (CID 154120710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).