5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one

C19H14O5 — CID 175811145

IUPAC5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
SMILESCC#Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C19H14O5/c1-3-4-13-14(20)9-15(21)18-16(22)10-17(24-19(13)18)11-5-7-12(23-2)8-6-11/h5-10,20-21H,1-2H3
InChIKeyKBTMDOSSHRBOTQ-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.25
Rot. Bonds2

About 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one

5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one (PubChem CID 175811145) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
PubChem CID175811145
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
SMILESCC#Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C19H14O5/c1-3-4-13-14(20)9-15(21)18-16(22)10-17(24-19(13)18)11-5-7-12(23-2)8-6-11/h5-10,20-21H,1-2H3
InChIKeyKBTMDOSSHRBOTQ-UHFFFAOYSA-N
XLogP3.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-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

8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 5320646
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
5,7-dihydroxy-2-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 21161135
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one (CID 175811145) is 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one is CC#Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)cc3)oc12.
What is the InChIKey of 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one?
The InChIKey is KBTMDOSSHRBOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c1-3-4-13-14(20)9-15(21)18-16(22)10-17(24-19(13)18)11-5-7-12(23-2)8-6-11/h5-10,20-21H,1-2H3.
What are the key properties of 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one?
5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one has a molecular weight of 322.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one is sourced from PubChem (CID 175811145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).