(3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone

C15H11NO3 — CID 46850031

IUPAC(3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1cc(O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-11-7-5-10(6-8-11)15(19)16-9-14(18)12-3-1-2-4-13(12)16/h1-9,17-18H
InChIKeyLOSQQHAJDMRYQO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.74
Rot. Bonds1

About (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone

(3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 46850031) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID46850031
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1cc(O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-11-7-5-10(6-8-11)15(19)16-9-14(18)12-3-1-2-4-13(12)16/h1-9,17-18H
InChIKeyLOSQQHAJDMRYQO-UHFFFAOYSA-N
XLogP2.74
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole
CID 4470577
1,2,3,4-Tetrahydropyrido[3,4-b]indole 13
CID 6539928
4-({2-benzoyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-9-yl}methyl)phenol
CID 6539934
N-Acetylindoxyl
CID 439701
Indole benzamide 18
CID 6539933
1,2,3,4-Tetrahydropyrido[3,4-b]indole 10
CID 6539925
[3-(2-Dimethylamino-ethyl)-5-hydroxy-1H-indol-1-yl]phenylmethanone
CID 9796627
1,2,3,4-Tetrahydropyrido[3,4-b]indole 7
CID 6539922
1,2,3,4-Tetrahydro pyrido[4,3-b]indol 16
CID 6539931
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-hydroxybenzamide
CID 2459796
(2Z)-1-acetyl-2-(anilinomethylene)-1,2-dihydro-3H-indol-3-one
CID 4294031
(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one
CID 56663459

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone (CID 46850031) is (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)n1cc(O)c2ccccc21.
What is the InChIKey of (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is LOSQQHAJDMRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-11-7-5-10(6-8-11)15(19)16-9-14(18)12-3-1-2-4-13(12)16/h1-9,17-18H.
What are the key properties of (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone?
(3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyindol-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 46850031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).