[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate

C21H16N2O4 — CID 118071965

IUPAC[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate
SMILESO=C(NO)Oc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O4/c24-16-12-10-15(11-13-16)23-18-9-5-4-8-17(18)20(27-21(25)22-26)19(23)14-6-2-1-3-7-14/h1-13,24,26H,(H,22,25)
InChIKeyZHBQFSPSRBRYGR-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.48
Rot. Bonds3

About [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate

[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate (PubChem CID 118071965) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate
PubChem CID118071965
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate
SMILESO=C(NO)Oc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O4/c24-16-12-10-15(11-13-16)23-18-9-5-4-8-17(18)20(27-21(25)22-26)19(23)14-6-2-1-3-7-14/h1-13,24,26H,(H,22,25)
InChIKeyZHBQFSPSRBRYGR-UHFFFAOYSA-N
XLogP4.48
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-hydroxyphenyl)-2-[(E)-prop-1-enyl]indol-3-yl] carbamate
CID 118071973
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol
CID 161179292
methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
CID 169479953
1-(4-hydroxyphenyl)-2-prop-1-ynylindole-3-carboxylic acid
CID 142763531
[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
CID 68817582
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285
1-(4-fluorophenyl)-3-methyl-2-phenylindole
CID 11551202
4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
CID 170360926
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate?
The IUPAC name of [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate (CID 118071965) is [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate.
What is the SMILES notation for [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate?
The canonical SMILES for [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate is O=C(NO)Oc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate?
The InChIKey is ZHBQFSPSRBRYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-16-12-10-15(11-13-16)23-18-9-5-4-8-17(18)20(27-21(25)22-26)19(23)14-6-2-1-3-7-14/h1-13,24,26H,(H,22,25).
What are the key properties of [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate?
[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate has a molecular weight of 360.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate is sourced from PubChem (CID 118071965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).