4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one

C13H14O5 — CID 54690574

IUPAC4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
SMILESCOc1cccc2c(O)c(OC(C)C)c(=O)oc12
InChIInChI=1S/C13H14O5/c1-7(2)17-12-10(14)8-5-4-6-9(16-3)11(8)18-13(12)15/h4-7,14H,1-3H3
InChIKeyPRUYPPSMKRMUSZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.29
Rot. Bonds3

About 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one

4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one (PubChem CID 54690574) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
PubChem CID54690574
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
SMILESCOc1cccc2c(O)c(OC(C)C)c(=O)oc12
InChIInChI=1S/C13H14O5/c1-7(2)17-12-10(14)8-5-4-6-9(16-3)11(8)18-13(12)15/h4-7,14H,1-3H3
InChIKeyPRUYPPSMKRMUSZ-UHFFFAOYSA-N
XLogP2.29
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-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

4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one
CID 54690507
2-(4-hydroxy-2-oxo-3-propan-2-yloxychromen-8-yl)oxyacetic acid
CID 54696938
3-hydroxy-8-[(2-methylpropan-2-yl)oxy]-4-propan-2-yloxychromen-2-one
CID 19929627
3,8-dihydroxy-4-propan-2-yloxychromen-2-one
CID 19929905
2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
CID 58668704
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-8-propan-2-yloxychromen-2-one
CID 54690547
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
3-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-2,6-dimethoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 87782624
4-hydroxy-8-(2-hydroxyethoxy)-3-(4-methylpentoxy)chromen-2-one
CID 54697049
3-fluoro-8-methoxy-4-methylchromen-2-one
CID 164597480
8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-3-propan-2-yloxychromen-2-one
CID 19929290

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one (CID 54690574) is 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one is COc1cccc2c(O)c(OC(C)C)c(=O)oc12.
What is the InChIKey of 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one?
The InChIKey is PRUYPPSMKRMUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-7(2)17-12-10(14)8-5-4-6-9(16-3)11(8)18-13(12)15/h4-7,14H,1-3H3.
What are the key properties of 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one?
4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one has a molecular weight of 250.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one is sourced from PubChem (CID 54690574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).