2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium

C16H17NO4Y — CID 157189840

IUPAC2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
SMILESC.O=C(O)Cn1c2ccccc2c2ccc(OCO)cc21.[Y]
InChIInChI=1S/C15H13NO4.CH4.Y/c17-9-20-10-5-6-12-11-3-1-2-4-13(11)16(8-15(18)19)14(12)7-10;;/h1-7,17H,8-9H2,(H,18,19);1H4;
InChIKeyWTSICESAUCMXAP-UHFFFAOYSA-N
MW376.22 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium

2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium (PubChem CID 157189840) has the molecular formula C16H17NO4Y and a molecular weight of 376.22 g/mol. Its IUPAC name is 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium.

Molecular Properties

Compound Name2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
PubChem CID157189840
Molecular FormulaC16H17NO4Y
Molecular Weight376.22 g/mol
Exact Mass376.02
IUPAC Name2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
SMILESC.O=C(O)Cn1c2ccccc2c2ccc(OCO)cc21.[Y]
InChIInChI=1S/C15H13NO4.CH4.Y/c17-9-20-10-5-6-12-11-3-1-2-4-13(11)16(8-15(18)19)14(12)7-10;;/h1-7,17H,8-9H2,(H,18,19);1H4;
InChIKeyWTSICESAUCMXAP-UHFFFAOYSA-N
XLogP2.84
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium?
The IUPAC name of 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium (CID 157189840) is 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium.
What is the SMILES notation for 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium?
The canonical SMILES for 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium is C.O=C(O)Cn1c2ccccc2c2ccc(OCO)cc21.[Y].
What is the InChIKey of 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium?
The InChIKey is WTSICESAUCMXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4.CH4.Y/c17-9-20-10-5-6-12-11-3-1-2-4-13(11)16(8-15(18)19)14(12)7-10;;/h1-7,17H,8-9H2,(H,18,19);1H4;.
What are the key properties of 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium?
2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium has a molecular weight of 376.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium is sourced from PubChem (CID 157189840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).