7-hydroxy-8-propan-2-yl-4-propylchromen-2-one

C15H18O3 — CID 89426551

IUPAC7-hydroxy-8-propan-2-yl-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(C)C)c(O)ccc12
InChIInChI=1S/C15H18O3/c1-4-5-10-8-13(17)18-15-11(10)6-7-12(16)14(15)9(2)3/h6-9,16H,4-5H2,1-3H3
InChIKeyCIXBQVJQEYZDEC-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.57
Rot. Bonds3

About 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one

7-hydroxy-8-propan-2-yl-4-propylchromen-2-one (PubChem CID 89426551) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-propan-2-yl-4-propylchromen-2-one
PubChem CID89426551
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name7-hydroxy-8-propan-2-yl-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(C)C)c(O)ccc12
InChIInChI=1S/C15H18O3/c1-4-5-10-8-13(17)18-15-11(10)6-7-12(16)14(15)9(2)3/h6-9,16H,4-5H2,1-3H3
InChIKeyCIXBQVJQEYZDEC-UHFFFAOYSA-N
XLogP3.57
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]propanoate
CID 7081826
(2S)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylamino]-3-methylbutanoic acid
CID 5417027
7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one
CID 5322247
(2R)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylamino]-4-methylpentanoic acid
CID 5417021
(2R)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]-4-methylpentanoate
CID 7081894
(2S,3S)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]-3-methylpentanoate
CID 7082300
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
8-methoxy-4-propylchromen-2-one
CID 42602895
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
(2R)-2-[(4-butyl-7-hydroxy-2-oxochromen-8-yl)methylamino]pentanoic acid
CID 42235240
6-bromo-7-hydroxy-4-propylchromen-2-one
CID 169006573
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one?
The IUPAC name of 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one (CID 89426551) is 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C(C)C)c(O)ccc12.
What is the InChIKey of 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one?
The InChIKey is CIXBQVJQEYZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-5-10-8-13(17)18-15-11(10)6-7-12(16)14(15)9(2)3/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one?
7-hydroxy-8-propan-2-yl-4-propylchromen-2-one has a molecular weight of 246.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-propan-2-yl-4-propylchromen-2-one is sourced from PubChem (CID 89426551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).