(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone

C15H11NO5 — CID 155516110

IUPAC(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1c[nH]c2cccc(O)c12
InChIInChI=1S/C15H11NO5/c17-10-3-1-2-9-13(10)8(6-16-9)14(20)7-4-11(18)15(21)12(19)5-7/h1-6,16-19,21H
InChIKeyHNVXQWCTTSWTAE-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.22
Rot. Bonds2

About (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone

(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 155516110) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone
PubChem CID155516110
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1c[nH]c2cccc(O)c12
InChIInChI=1S/C15H11NO5/c17-10-3-1-2-9-13(10)8(6-16-9)14(20)7-4-11(18)15(21)12(19)5-7/h1-6,16-19,21H
InChIKeyHNVXQWCTTSWTAE-UHFFFAOYSA-N
XLogP2.22
TPSA113.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
ethyl 4-hydroxy-1H-indole-3-carboxylate
CID 13186947
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone?
The IUPAC name of (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone (CID 155516110) is (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone is O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c2cccc(O)c12.
What is the InChIKey of (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone?
The InChIKey is HNVXQWCTTSWTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-10-3-1-2-9-13(10)8(6-16-9)14(20)7-4-11(18)15(21)12(19)5-7/h1-6,16-19,21H.
What are the key properties of (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone?
(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 285.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 155516110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).