7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one

C19H24O4 — CID 88940715

IUPAC7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one
SMILESC=C(CC)OCCCOc1ccc2c(CCC)cc(=O)oc2c1
InChIInChI=1S/C19H24O4/c1-4-7-15-12-19(20)23-18-13-16(8-9-17(15)18)22-11-6-10-21-14(3)5-2/h8-9,12-13H,3-7,10-11H2,1-2H3
InChIKeyMCLRRPGFIMPMIK-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.45
Rot. Bonds9

About 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one

7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one (PubChem CID 88940715) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one.

Molecular Properties

Compound Name7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one
PubChem CID88940715
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one
SMILESC=C(CC)OCCCOc1ccc2c(CCC)cc(=O)oc2c1
InChIInChI=1S/C19H24O4/c1-4-7-15-12-19(20)23-18-13-16(8-9-17(15)18)22-11-6-10-21-14(3)5-2/h8-9,12-13H,3-7,10-11H2,1-2H3
InChIKeyMCLRRPGFIMPMIK-UHFFFAOYSA-N
XLogP4.45
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-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

butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
4-butyl-7-(2-methylprop-2-enoxy)chromen-2-one
CID 2183827
7-(3-bromopropoxy)-4-heptylchromen-2-one
CID 132520048
4-amino-7-butoxychromen-2-one
CID 175494716
3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate
CID 118521700
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238

Frequently Asked Questions

What is the IUPAC name of 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one?
The IUPAC name of 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one (CID 88940715) is 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one.
What is the SMILES notation for 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one?
The canonical SMILES for 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one is C=C(CC)OCCCOc1ccc2c(CCC)cc(=O)oc2c1.
What is the InChIKey of 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one?
The InChIKey is MCLRRPGFIMPMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-4-7-15-12-19(20)23-18-13-16(8-9-17(15)18)22-11-6-10-21-14(3)5-2/h8-9,12-13H,3-7,10-11H2,1-2H3.
What are the key properties of 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one?
7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one is sourced from PubChem (CID 88940715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).