methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate

C17H17NO3 — CID 107681939

IUPACmethyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
SMILESCOC(=O)c1cccc(NC2CCc3cc(O)ccc32)c1
InChIInChI=1S/C17H17NO3/c1-21-17(20)12-3-2-4-13(9-12)18-16-8-5-11-10-14(19)6-7-15(11)16/h2-4,6-7,9-10,16,18-19H,5,8H2,1H3
InChIKeyMJWVFLIUIFQUMT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.28
Rot. Bonds3

About methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate

methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate (PubChem CID 107681939) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
PubChem CID107681939
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
SMILESCOC(=O)c1cccc(NC2CCc3cc(O)ccc32)c1
InChIInChI=1S/C17H17NO3/c1-21-17(20)12-3-2-4-13(9-12)18-16-8-5-11-10-14(19)6-7-15(11)16/h2-4,6-7,9-10,16,18-19H,5,8H2,1H3
InChIKeyMJWVFLIUIFQUMT-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate with MolForge

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Related Compounds

1-(3-propoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682035
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
CID 43774418
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 107681837
methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate
CID 130366950
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate?
The IUPAC name of methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate (CID 107681939) is methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate is COC(=O)c1cccc(NC2CCc3cc(O)ccc32)c1.
What is the InChIKey of methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate?
The InChIKey is MJWVFLIUIFQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-17(20)12-3-2-4-13(9-12)18-16-8-5-11-10-14(19)6-7-15(11)16/h2-4,6-7,9-10,16,18-19H,5,8H2,1H3.
What are the key properties of methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate?
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate is sourced from PubChem (CID 107681939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).