5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one

C18H17NO4 — CID 10335613

IUPAC5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one
SMILESCC(C)Nc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C18H17NO4/c1-10(2)19-17-13(21)9-15-16(18(17)22)12(20)8-14(23-15)11-6-4-3-5-7-11/h3-10,19,21-22H,1-2H3
InChIKeyWAJLPXFKSOLBAB-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.69
Rot. Bonds3

About 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one

5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one (PubChem CID 10335613) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one
PubChem CID10335613
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one
SMILESCC(C)Nc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C18H17NO4/c1-10(2)19-17-13(21)9-15-16(18(17)22)12(20)8-14(23-15)11-6-4-3-5-7-11/h3-10,19,21-22H,1-2H3
InChIKeyWAJLPXFKSOLBAB-UHFFFAOYSA-N
XLogP3.69
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-4-[6-(2-methylpropoxy)hexoxy]benzamide
CID 10004878
2,2-dimethyl-N-[4-oxo-7-(6-phenylhexoxy)-2,3-dihydrochromen-8-yl]propanamide
CID 10320108
N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)acetamide
CID 10428676
Eltrombopag Impurity 11
CID 44817924
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]propanamide
CID 118060425
(E)-3-[3-(benzylamino)-4-methoxyphenyl]-1-(5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one
CID 118060599
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 118060721
2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 118060799
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 118060843
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]-2-methylpropanamide
CID 118060866
N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)-2,2-dimethyl-8-phenyloctanamide
CID 9979721
4-decoxy-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
CID 10004061

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one (CID 10335613) is 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one is CC(C)Nc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one?
The InChIKey is WAJLPXFKSOLBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10(2)19-17-13(21)9-15-16(18(17)22)12(20)8-14(23-15)11-6-4-3-5-7-11/h3-10,19,21-22H,1-2H3.
What are the key properties of 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one?
5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one has a molecular weight of 311.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-phenyl-6-(propan-2-ylamino)chromen-4-one is sourced from PubChem (CID 10335613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).