7-methoxy-8-propylchromen-2-one

C13H14O3 — CID 141186170

IUPAC7-methoxy-8-propylchromen-2-one
SMILESCCCc1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C13H14O3/c1-3-4-10-11(15-2)7-5-9-6-8-12(14)16-13(9)10/h5-8H,3-4H2,1-2H3
InChIKeyCHHMOJFJWQEZOR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.75
Rot. Bonds3

About 7-methoxy-8-propylchromen-2-one

7-methoxy-8-propylchromen-2-one (PubChem CID 141186170) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 7-methoxy-8-propylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-8-propylchromen-2-one
PubChem CID141186170
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name7-methoxy-8-propylchromen-2-one
SMILESCCCc1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C13H14O3/c1-3-4-10-11(15-2)7-5-9-6-8-12(14)16-13(9)10/h5-8H,3-4H2,1-2H3
InChIKeyCHHMOJFJWQEZOR-UHFFFAOYSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542
2-(7-methoxy-2-oxochromen-8-yl)acetyl chloride
CID 143778667
8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
CID 13343540
7-methoxy-8-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]chromen-2-one
CID 162849086
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
8-[(1S,2S,3S,4S)-2,3-diacetyl-4-(7-methoxy-2-oxochromen-8-yl)cyclobutyl]-7-methoxychromen-2-one
CID 14409181
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
methyl 6-[8-(3-methylbutyl)-2-oxochromen-7-yl]oxyhexanoate
CID 54770007
N-[4-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-propylchromen-2-one?
The IUPAC name of 7-methoxy-8-propylchromen-2-one (CID 141186170) is 7-methoxy-8-propylchromen-2-one.
What is the SMILES notation for 7-methoxy-8-propylchromen-2-one?
The canonical SMILES for 7-methoxy-8-propylchromen-2-one is CCCc1c(OC)ccc2ccc(=O)oc12.
What is the InChIKey of 7-methoxy-8-propylchromen-2-one?
The InChIKey is CHHMOJFJWQEZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-3-4-10-11(15-2)7-5-9-6-8-12(14)16-13(9)10/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-methoxy-8-propylchromen-2-one?
7-methoxy-8-propylchromen-2-one has a molecular weight of 218.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-propylchromen-2-one is sourced from PubChem (CID 141186170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).