ethane-1,2-diol;2-methoxyxanthen-9-one

C16H16O5 — CID 126598327

IUPACethane-1,2-diol;2-methoxyxanthen-9-one
SMILESCOc1ccc2oc3ccccc3c(=O)c2c1.OCCO
InChIInChI=1S/C14H10O3.C2H6O2/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13;3-1-2-4/h2-8H,1H3;3-4H,1-2H2
InChIKeyUYLMZXGEFQRMFS-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.93
Rot. Bonds2

About ethane-1,2-diol;2-methoxyxanthen-9-one

ethane-1,2-diol;2-methoxyxanthen-9-one (PubChem CID 126598327) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethane-1,2-diol;2-methoxyxanthen-9-one.

Molecular Properties

Compound Nameethane-1,2-diol;2-methoxyxanthen-9-one
PubChem CID126598327
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameethane-1,2-diol;2-methoxyxanthen-9-one
SMILESCOc1ccc2oc3ccccc3c(=O)c2c1.OCCO
InChIInChI=1S/C14H10O3.C2H6O2/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13;3-1-2-4/h2-8H,1H3;3-4H,1-2H2
InChIKeyUYLMZXGEFQRMFS-UHFFFAOYSA-N
XLogP1.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;2-methoxyxanthen-9-one with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxyxanthen-9-one
CID 14150405
2-(3-chloro-2-hydroxypropoxy)xanthen-9-one
CID 10638254
propane;xanthen-9-one
CID 90876458
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-nona-1,3,5,7-tetraynoxyxanthen-9-one
CID 168764753
N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide
CID 139246796
3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
CID 10082863
1-fluoro-3-methoxyxanthen-9-one
CID 155932992
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-methoxyxanthen-9-one?
The IUPAC name of ethane-1,2-diol;2-methoxyxanthen-9-one (CID 126598327) is ethane-1,2-diol;2-methoxyxanthen-9-one.
What is the SMILES notation for ethane-1,2-diol;2-methoxyxanthen-9-one?
The canonical SMILES for ethane-1,2-diol;2-methoxyxanthen-9-one is COc1ccc2oc3ccccc3c(=O)c2c1.OCCO.
What is the InChIKey of ethane-1,2-diol;2-methoxyxanthen-9-one?
The InChIKey is UYLMZXGEFQRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.C2H6O2/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13;3-1-2-4/h2-8H,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-methoxyxanthen-9-one?
ethane-1,2-diol;2-methoxyxanthen-9-one has a molecular weight of 288.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-methoxyxanthen-9-one is sourced from PubChem (CID 126598327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).