methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate

C15H13NO3 — CID 117390881

IUPACmethyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H13NO3/c1-19-15(18)14(17)9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-13/h2-8,14,16-17H,1H3
InChIKeyJVTCTFLLENMTRL-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.53
Rot. Bonds2

About methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate

methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate (PubChem CID 117390881) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
PubChem CID117390881
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H13NO3/c1-19-15(18)14(17)9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-13/h2-8,14,16-17H,1H3
InChIKeyJVTCTFLLENMTRL-UHFFFAOYSA-N
XLogP2.53
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
CID 171865046
methyl 3-(9H-carbazol-3-yl)-3-chloro-2-oxopropanoate
CID 150988164
2,2-bis(9H-carbazol-3-yl)acetamide
CID 171509526
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate
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1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
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methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262

Frequently Asked Questions

What is the IUPAC name of methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate (CID 117390881) is methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate is COC(=O)C(O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate?
The InChIKey is JVTCTFLLENMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)14(17)9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-13/h2-8,14,16-17H,1H3.
What are the key properties of methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate?
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate has a molecular weight of 255.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 117390881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).